N-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide

C18H25N5O — CID 100839330

IUPACN-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCC(C)n1ncc2cc(C(=O)N[C@@H]3CCN4CCCC[C@@H]34)cnc21
InChIInChI=1S/C18H25N5O/c1-12(2)23-17-13(11-20-23)9-14(10-19-17)18(24)21-15-6-8-22-7-4-3-5-16(15)22/h9-12,15-16H,3-8H2,1-2H3,(H,21,24)/t15-,16+/m1/s1
InChIKeyHKOPVLALXPWJED-CVEARBPZSA-N
MW327.43 g/mol
LogP2.37
Rot. Bonds3

About N-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide

N-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 100839330) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is N-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID100839330
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC NameN-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCC(C)n1ncc2cc(C(=O)N[C@@H]3CCN4CCCC[C@@H]34)cnc21
InChIInChI=1S/C18H25N5O/c1-12(2)23-17-13(11-20-23)9-14(10-19-17)18(24)21-15-6-8-22-7-4-3-5-16(15)22/h9-12,15-16H,3-8H2,1-2H3,(H,21,24)/t15-,16+/m1/s1
InChIKeyHKOPVLALXPWJED-CVEARBPZSA-N
XLogP2.37
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide with MolForge

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Related Compounds

N-[(3S,4R)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 95789722
N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 71900391
cis-(1R,3S)-3-[(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120677416
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2,6-dichloropyridine-4-carboxamide
CID 61041996
N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 35247874
N'-(4-fluorobenzoyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbohydrazide
CID 46523701
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide
CID 60955990
1-[(1R,2R)-2-hydroxycyclohexyl]-3-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)urea
CID 94816028
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)naphthalene-2-carboxamide
CID 75414949
N-(5-methylhexan-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 16581530
N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-chlorobenzamide
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Frequently Asked Questions

What is the IUPAC name of N-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 100839330) is N-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide is CC(C)n1ncc2cc(C(=O)N[C@@H]3CCN4CCCC[C@@H]34)cnc21.
What is the InChIKey of N-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is HKOPVLALXPWJED-CVEARBPZSA-N. The full InChI is InChI=1S/C18H25N5O/c1-12(2)23-17-13(11-20-23)9-14(10-19-17)18(24)21-15-6-8-22-7-4-3-5-16(15)22/h9-12,15-16H,3-8H2,1-2H3,(H,21,24)/t15-,16+/m1/s1.
What are the key properties of N-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
N-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 100839330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).