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

C20H21FN4O2 — CID 91909528

IUPAC5-(4-fluorophenyl)-N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]-1H-pyrazole-4-carboxamide
SMILESCN1C(=O)CCC2(CNC(=O)c3cn[nH]c3-c3ccc(F)cc3)CCC=C12
InChIInChI=1S/C20H21FN4O2/c1-25-16-3-2-9-20(16,10-8-17(25)26)12-22-19(27)15-11-23-24-18(15)13-4-6-14(21)7-5-13/h3-7,11H,2,8-10,12H2,1H3,(H,22,27)(H,23,24)
InChIKeyZKEUPSUPVHPQNQ-UHFFFAOYSA-N
MW368.41 g/mol
LogP2.86
Rot. Bonds4

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

5-(4-fluorophenyl)-N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]-1H-pyrazole-4-carboxamide (PubChem CID 91909528) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]-1H-pyrazole-4-carboxamide
PubChem CID91909528
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC Name5-(4-fluorophenyl)-N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]-1H-pyrazole-4-carboxamide
SMILESCN1C(=O)CCC2(CNC(=O)c3cn[nH]c3-c3ccc(F)cc3)CCC=C12
InChIInChI=1S/C20H21FN4O2/c1-25-16-3-2-9-20(16,10-8-17(25)26)12-22-19(27)15-11-23-24-18(15)13-4-6-14(21)7-5-13/h3-7,11H,2,8-10,12H2,1H3,(H,22,27)(H,23,24)
InChIKeyZKEUPSUPVHPQNQ-UHFFFAOYSA-N
XLogP2.86
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]-1H-pyrazole-4-carboxamide (CID 91909528) is 5-(4-fluorophenyl)-N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]-1H-pyrazole-4-carboxamide is CN1C(=O)CCC2(CNC(=O)c3cn[nH]c3-c3ccc(F)cc3)CCC=C12.
What is the InChIKey of 5-(4-fluorophenyl)-N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]-1H-pyrazole-4-carboxamide?
The InChIKey is ZKEUPSUPVHPQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2/c1-25-16-3-2-9-20(16,10-8-17(25)26)12-22-19(27)15-11-23-24-18(15)13-4-6-14(21)7-5-13/h3-7,11H,2,8-10,12H2,1H3,(H,22,27)(H,23,24).
What are the key properties of 5-(4-fluorophenyl)-N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]-1H-pyrazole-4-carboxamide?
5-(4-fluorophenyl)-N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]-1H-pyrazole-4-carboxamide has a molecular weight of 368.41 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 91909528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).