C-Fms-IN-1

CAT: 0127-BUP14332-01Size: 2 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP14332-01Size:2 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

885703-64-0

Purity

=98%

Smiles

CN1CCN(CC1)c1ccc(NC(=O)c2ccc(o2)C#N)c(c1)N1CCCCC1

Chemical Information

5-Cyano-N-[4-(4-Methylpiperazin-1-Yl)-2-Piperidin-1-Ylphenyl]furan-2-Carboxamide

CAS Number	885703-64-0
PubChem CID	11502871
IUPAC Name	5-cyano-N-[4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]furan-2-carboxamide
Molecular Formula	C22H27N5O2
Molecular Weight	393.5
XLogP	3.1
Topological Polar Surface Area	75.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Heavy Atom Count	29
Formal Charge	0
Complexity	606

SMILES

CN1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=CC=C(O3)C#N)N4CCCCC4

InChI

InChI=1S/C22H27N5O2/c1-25-11-13-26(14-12-25)17-5-7-19(20(15-17)27-9-3-2-4-10-27)24-22(28)21-8-6-18(16-23)29-21/h5-8,15H,2-4,9-14H2,1H3,(H,24,28)

InChIKey

UUPPIQKPNBIUKY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 885703-64-0

CID: 11502871

Formula: C22H27N5O2

MW: 393.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	393.5
XLogP3	3.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	393.21647512
Monoisotopic Mass	393.21647512
Topological Polar Surface Area	75.8 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	606
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
BUP02426-01	C-Fms-IN-2
BUP06929-01	C-Fms-IN-13
BUP11991-01	C-Fms-IN-3
BUP09597-01	C-Kit-IN-1
BUP10069-01	Glutaminase C-IN-1
BUP03655-01	C/EBPa inducer 1
BUP04463-01	NPR-C activator 1
BUP02416-01	C-Met inhibitor 1
OR913056	C- (1-Piperidin-1-yl-cyclohexyl) -methylamine
OR1024230-01	Naphtho[1,2-C:5,6-C']Bis ([1,2,5]Thiadiazole)