PHA-793887

CAT: 0127-BUP06949-05Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP06949-05Size:100 mg

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

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CAS Number

718630-59-2

Synonyms

PHA 793887, PHA793887

Purity

=98%

Smiles

CC(C)CC(=O)Nc1n[nH]c2c1CN(C(=O)C1CCN(C)CC1)C2(C)C

Chemical Information

Pha-793887

N-[6,6-dimethyl-5-[(1-methyl-4-piperidinyl)-oxomethyl]-1,4-dihydropyrrolo[3,4-c]pyrazol-3-yl]-3-methylbutanamide is a piperidinecarboxamide.

CAS Number	718630-59-2
PubChem CID	46191454
IUPAC Name	N-[6,6-dimethyl-5-(1-methylpiperidine-4-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-3-methylbutanamide
Molecular Formula	C19H31N5O2
Molecular Weight	361.5
XLogP	1
Topological Polar Surface Area	81.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	26
Formal Charge	0
Complexity	542

SMILES

CC(C)CC(=O)NC1=NNC2=C1CN(C2(C)C)C(=O)C3CCN(CC3)C

InChI

InChI=1S/C19H31N5O2/c1-12(2)10-15(25)20-17-14-11-24(19(3,4)16(14)21-22-17)18(26)13-6-8-23(5)9-7-13/h12-13H,6-11H2,1-5H3,(H2,20,21,22,25)

InChIKey

HUXYBQXJVXOMKX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 718630-59-2

CID: 46191454

Formula: C19H31N5O2

MW: 361.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	361.5
XLogP3	1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	361.24777525
Monoisotopic Mass	361.24777525
Topological Polar Surface Area	81.3 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	542
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
A5459-5	PHA-793887
FM145343	PHA 793887