5-(2-cyclopentylacetyl)-N-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

C22H27FN4O2 — CID 53066557

IUPAC5-(2-cyclopentylacetyl)-N-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCn1nc(C(=O)NCc2ccc(F)cc2)c2c1CCN(C(=O)CC1CCCC1)C2
InChIInChI=1S/C22H27FN4O2/c1-26-19-10-11-27(20(28)12-15-4-2-3-5-15)14-18(19)21(25-26)22(29)24-13-16-6-8-17(23)9-7-16/h6-9,15H,2-5,10-14H2,1H3,(H,24,29)
InChIKeyFYDWELQSZOPUMB-UHFFFAOYSA-N
MW398.48 g/mol
LogP2.95
Rot. Bonds5

About 5-(2-cyclopentylacetyl)-N-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

5-(2-cyclopentylacetyl)-N-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 53066557) has the molecular formula C22H27FN4O2 and a molecular weight of 398.48 g/mol. Its IUPAC name is 5-(2-cyclopentylacetyl)-N-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2-cyclopentylacetyl)-N-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID53066557
Molecular FormulaC22H27FN4O2
Molecular Weight398.48 g/mol
Exact Mass398.21
IUPAC Name5-(2-cyclopentylacetyl)-N-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCn1nc(C(=O)NCc2ccc(F)cc2)c2c1CCN(C(=O)CC1CCCC1)C2
InChIInChI=1S/C22H27FN4O2/c1-26-19-10-11-27(20(28)12-15-4-2-3-5-15)14-18(19)21(25-26)22(29)24-13-16-6-8-17(23)9-7-16/h6-9,15H,2-5,10-14H2,1H3,(H,24,29)
InChIKeyFYDWELQSZOPUMB-UHFFFAOYSA-N
XLogP2.95
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclopentylacetyl)-N-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of 5-(2-cyclopentylacetyl)-N-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 53066557) is 5-(2-cyclopentylacetyl)-N-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 5-(2-cyclopentylacetyl)-N-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for 5-(2-cyclopentylacetyl)-N-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is Cn1nc(C(=O)NCc2ccc(F)cc2)c2c1CCN(C(=O)CC1CCCC1)C2.
What is the InChIKey of 5-(2-cyclopentylacetyl)-N-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is FYDWELQSZOPUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN4O2/c1-26-19-10-11-27(20(28)12-15-4-2-3-5-15)14-18(19)21(25-26)22(29)24-13-16-6-8-17(23)9-7-16/h6-9,15H,2-5,10-14H2,1H3,(H,24,29).
What are the key properties of 5-(2-cyclopentylacetyl)-N-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
5-(2-cyclopentylacetyl)-N-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 398.48 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclopentylacetyl)-N-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 53066557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).