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

C20H22N4O2 — CID 91909535

IUPACN-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]-5-phenyl-1H-pyrazole-4-carboxamide
SMILESCN1C(=O)CCC2(CNC(=O)c3cn[nH]c3-c3ccccc3)CCC=C12
InChIInChI=1S/C20H22N4O2/c1-24-16-8-5-10-20(16,11-9-17(24)25)13-21-19(26)15-12-22-23-18(15)14-6-3-2-4-7-14/h2-4,6-8,12H,5,9-11,13H2,1H3,(H,21,26)(H,22,23)
InChIKeyXXAGWOLKYYPSOL-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.72
Rot. Bonds4

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

N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]-5-phenyl-1H-pyrazole-4-carboxamide (PubChem CID 91909535) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]-5-phenyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]-5-phenyl-1H-pyrazole-4-carboxamide
PubChem CID91909535
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]-5-phenyl-1H-pyrazole-4-carboxamide
SMILESCN1C(=O)CCC2(CNC(=O)c3cn[nH]c3-c3ccccc3)CCC=C12
InChIInChI=1S/C20H22N4O2/c1-24-16-8-5-10-20(16,11-9-17(24)25)13-21-19(26)15-12-22-23-18(15)14-6-3-2-4-7-14/h2-4,6-8,12H,5,9-11,13H2,1H3,(H,21,26)(H,22,23)
InChIKeyXXAGWOLKYYPSOL-UHFFFAOYSA-N
XLogP2.72
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]-5-phenyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]-5-phenyl-1H-pyrazole-4-carboxamide (CID 91909535) is N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]-5-phenyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]-5-phenyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]-5-phenyl-1H-pyrazole-4-carboxamide is CN1C(=O)CCC2(CNC(=O)c3cn[nH]c3-c3ccccc3)CCC=C12.
What is the InChIKey of N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]-5-phenyl-1H-pyrazole-4-carboxamide?
The InChIKey is XXAGWOLKYYPSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-24-16-8-5-10-20(16,11-9-17(24)25)13-21-19(26)15-12-22-23-18(15)14-6-3-2-4-7-14/h2-4,6-8,12H,5,9-11,13H2,1H3,(H,21,26)(H,22,23).
What are the key properties of N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]-5-phenyl-1H-pyrazole-4-carboxamide?
N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]-5-phenyl-1H-pyrazole-4-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 2.72, 4 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]-5-phenyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 91909535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).