N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]-1H-indazole-3-carboxamide

C18H20N4O2 — CID 91920216

IUPACN-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]-1H-indazole-3-carboxamide
SMILESCN1C(=O)CCC2(CNC(=O)c3n[nH]c4ccccc34)CCC=C12
InChIInChI=1S/C18H20N4O2/c1-22-14-7-4-9-18(14,10-8-15(22)23)11-19-17(24)16-12-5-2-3-6-13(12)20-21-16/h2-3,5-7H,4,8-11H2,1H3,(H,19,24)(H,20,21)
InChIKeyBPLHYLPFJCZNOP-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.21
Rot. Bonds3

About N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]-1H-indazole-3-carboxamide

N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]-1H-indazole-3-carboxamide (PubChem CID 91920216) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]-1H-indazole-3-carboxamide
PubChem CID91920216
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC NameN-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]-1H-indazole-3-carboxamide
SMILESCN1C(=O)CCC2(CNC(=O)c3n[nH]c4ccccc34)CCC=C12
InChIInChI=1S/C18H20N4O2/c1-22-14-7-4-9-18(14,10-8-15(22)23)11-19-17(24)16-12-5-2-3-6-13(12)20-21-16/h2-3,5-7H,4,8-11H2,1H3,(H,19,24)(H,20,21)
InChIKeyBPLHYLPFJCZNOP-UHFFFAOYSA-N
XLogP2.21
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]-1H-indazole-3-carboxamide with MolForge

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Related Compounds

1-methyl-N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]pyrrole-2-carboxamide
CID 110196564
2-methoxy-N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]acetamide
CID 110196558
N-[(1-phenylcyclobutyl)methyl]-1H-indazole-3-carboxamide
CID 17488509
N-[(1-methylcyclobutyl)methyl]-1H-indazole-3-carboxamide
CID 103737418
1-[(1H-indazole-3-carbonylamino)methyl]cyclopropane-1-carboxylic acid
CID 115449941
N-[[(4aS,7aR)-1-ethyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl]methyl]-1H-indazole-3-carboxamide
CID 87053455
N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-1H-indazole-3-carboxamide
CID 52735058
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1H-indazole-3-carboxamide
CID 114751357
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1H-indazole-3-carboxamide
CID 103800055
N-[(1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)methyl]-1H-indazole-3-carboxamide
CID 77092972
N-(1-methylcyclohexyl)-1H-indazole-3-carboxamide
CID 61229539
N-(2-methylpropyl)-1H-indazole-3-carboxamide
CID 42477800

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]-1H-indazole-3-carboxamide (CID 91920216) is N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]-1H-indazole-3-carboxamide is CN1C(=O)CCC2(CNC(=O)c3n[nH]c4ccccc34)CCC=C12.
What is the InChIKey of N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]-1H-indazole-3-carboxamide?
The InChIKey is BPLHYLPFJCZNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-22-14-7-4-9-18(14,10-8-15(22)23)11-19-17(24)16-12-5-2-3-6-13(12)20-21-16/h2-3,5-7H,4,8-11H2,1H3,(H,19,24)(H,20,21).
What are the key properties of N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]-1H-indazole-3-carboxamide?
N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]-1H-indazole-3-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 91920216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).