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

C22H27FN4O2 — CID 110248188

IUPAC5-(cyclopentanecarbonyl)-N-[2-(4-fluorophenyl)ethyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide
SMILESCn1cc2c(n1)C(C(=O)NCCc1ccc(F)cc1)CN(C(=O)C1CCCC1)C2
InChIInChI=1S/C22H27FN4O2/c1-26-12-17-13-27(22(29)16-4-2-3-5-16)14-19(20(17)25-26)21(28)24-11-10-15-6-8-18(23)9-7-15/h6-9,12,16,19H,2-5,10-11,13-14H2,1H3,(H,24,28)
InChIKeyDLQFWOTZRZMOEZ-UHFFFAOYSA-N
MW398.48 g/mol
LogP2.53
Rot. Bonds5

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

5-(cyclopentanecarbonyl)-N-[2-(4-fluorophenyl)ethyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide (PubChem CID 110248188) has the molecular formula C22H27FN4O2 and a molecular weight of 398.48 g/mol. Its IUPAC name is 5-(cyclopentanecarbonyl)-N-[2-(4-fluorophenyl)ethyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name5-(cyclopentanecarbonyl)-N-[2-(4-fluorophenyl)ethyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide
PubChem CID110248188
Molecular FormulaC22H27FN4O2
Molecular Weight398.48 g/mol
Exact Mass398.21
IUPAC Name5-(cyclopentanecarbonyl)-N-[2-(4-fluorophenyl)ethyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide
SMILESCn1cc2c(n1)C(C(=O)NCCc1ccc(F)cc1)CN(C(=O)C1CCCC1)C2
InChIInChI=1S/C22H27FN4O2/c1-26-12-17-13-27(22(29)16-4-2-3-5-16)14-19(20(17)25-26)21(28)24-11-10-15-6-8-18(23)9-7-15/h6-9,12,16,19H,2-5,10-11,13-14H2,1H3,(H,24,28)
InChIKeyDLQFWOTZRZMOEZ-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(7S)-N-[2-(4-fluorophenyl)ethyl]-2-methyl-5-(3-phenylpropanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide
CID 129360922
N-[2-(4-fluorophenyl)ethyl]-2-methyl-5-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide
CID 110248193
(7S)-N-[2-(4-fluorophenyl)ethyl]-2-methyl-5-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide
CID 92621168
(7R)-5-(cyclopentanecarbonyl)-2-methyl-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide
CID 95806124
(7R)-N-[2-(4-fluorophenyl)ethyl]-5-[(2-methoxy-3-methylphenyl)methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide
CID 124995797
6-acetyl-N-[2-(4-fluorophenyl)ethyl]-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide
CID 91949305
1-[4-[(3S)-3,4-bis[2-(4-fluorophenyl)ethylcarbamoyl]pyrrolidine-1-carbonyl]cyclohexanecarbonyl]-3-N,4-N-bis[2-(4-fluorophenyl)ethyl]pyrrolidine-3,4-dicarboxamide
CID 145434388
N-[2-(4-fluorophenyl)ethyl]-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146241
(7S)-5-[2-(4-fluorophenyl)acetyl]-N-(2-methoxyphenyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide
CID 95806143
N-[2-(4-fluorophenyl)ethyl]-1-(oxane-4-carbonyl)piperidine-4-carboxamide
CID 113004684
N-[2-(4-fluorophenyl)ethyl]-1-methylpyrrolidine-3-carboxamide
CID 110852538
5-benzoyl-N-[(2-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide
CID 110248176

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopentanecarbonyl)-N-[2-(4-fluorophenyl)ethyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide?
The IUPAC name of 5-(cyclopentanecarbonyl)-N-[2-(4-fluorophenyl)ethyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide (CID 110248188) is 5-(cyclopentanecarbonyl)-N-[2-(4-fluorophenyl)ethyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide.
What is the SMILES notation for 5-(cyclopentanecarbonyl)-N-[2-(4-fluorophenyl)ethyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide?
The canonical SMILES for 5-(cyclopentanecarbonyl)-N-[2-(4-fluorophenyl)ethyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide is Cn1cc2c(n1)C(C(=O)NCCc1ccc(F)cc1)CN(C(=O)C1CCCC1)C2.
What is the InChIKey of 5-(cyclopentanecarbonyl)-N-[2-(4-fluorophenyl)ethyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide?
The InChIKey is DLQFWOTZRZMOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN4O2/c1-26-12-17-13-27(22(29)16-4-2-3-5-16)14-19(20(17)25-26)21(28)24-11-10-15-6-8-18(23)9-7-15/h6-9,12,16,19H,2-5,10-11,13-14H2,1H3,(H,24,28).
What are the key properties of 5-(cyclopentanecarbonyl)-N-[2-(4-fluorophenyl)ethyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide?
5-(cyclopentanecarbonyl)-N-[2-(4-fluorophenyl)ethyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide has a molecular weight of 398.48 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopentanecarbonyl)-N-[2-(4-fluorophenyl)ethyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide is sourced from PubChem (CID 110248188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).