Um729

CAT: 1299-RG-U010001-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-U010001-02Size:25 mg

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CAS Number

1448723-60-1

Synonyms

Methyl 4- ((3- (piperidin-1-yl) propyl) amino) -9H-pyrimido[4,5-b]indole-7-carboxylate

Molecular Formula

C20H25N5O2

Molecular Weight

367.45

Target Alternative Name

Um729

Product Name Synonym

Methyl 4- ((3- (piperidin-1-yl) propyl) amino) -9H-pyrimido[4,5-b]indole-7-carboxylate

Chemical Information

methyl 4-{[3-(piperidin-1-yl)propyl]amino}-9H-pyrimido[4,5-b]indole-7-carboxylate

CAS Number	1448723-60-1
PubChem CID	71714933
IUPAC Name	methyl 4-(3-piperidin-1-ylpropylamino)-9H-pyrimido[4,5-b]indole-7-carboxylate
Molecular Formula	C20H25N5O2
Molecular Weight	367.4
XLogP	3.4
Topological Polar Surface Area	83.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Heavy Atom Count	27
Formal Charge	0
Complexity	499

SMILES

COC(=O)C1=CC2=C(C=C1)C3=C(N2)N=CN=C3NCCCN4CCCCC4

InChI

InChI=1S/C20H25N5O2/c1-27-20(26)14-6-7-15-16(12-14)24-19-17(15)18(22-13-23-19)21-8-5-11-25-9-3-2-4-10-25/h6-7,12-13H,2-5,8-11H2,1H3,(H2,21,22,23,24)

InChIKey

SIBCJMZHJZDUNK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1448723-60-1

CID: 71714933

Formula: C20H25N5O2

MW: 367.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	367.4
XLogP3	3.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Exact Mass	367.20082506
Monoisotopic Mass	367.20082506
Topological Polar Surface Area	83.1 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	499
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
YHC72360-01	UM729