cyclopentyl-[(7R)-7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone

C24H30FN5O2 — CID 92621187

IUPACcyclopentyl-[(7R)-7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
SMILESCn1cc2c(n1)[C@H](C(=O)N1CCN(c3ccc(F)cc3)CC1)CN(C(=O)C1CCCC1)C2
InChIInChI=1S/C24H30FN5O2/c1-27-14-18-15-30(23(31)17-4-2-3-5-17)16-21(22(18)26-27)24(32)29-12-10-28(11-13-29)20-8-6-19(25)7-9-20/h6-9,14,17,21H,2-5,10-13,15-16H2,1H3/t21-/m1/s1
InChIKeyNXNGUJYOLMUZOY-OAQYLSRUSA-N
MW439.54 g/mol
LogP2.52
Rot. Bonds3

About cyclopentyl-[(7R)-7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone

cyclopentyl-[(7R)-7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone (PubChem CID 92621187) has the molecular formula C24H30FN5O2 and a molecular weight of 439.54 g/mol. Its IUPAC name is cyclopentyl-[(7R)-7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[(7R)-7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
PubChem CID92621187
Molecular FormulaC24H30FN5O2
Molecular Weight439.54 g/mol
Exact Mass439.24
IUPAC Namecyclopentyl-[(7R)-7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
SMILESCn1cc2c(n1)[C@H](C(=O)N1CCN(c3ccc(F)cc3)CC1)CN(C(=O)C1CCCC1)C2
InChIInChI=1S/C24H30FN5O2/c1-27-14-18-15-30(23(31)17-4-2-3-5-17)16-21(22(18)26-27)24(32)29-12-10-28(11-13-29)20-8-6-19(25)7-9-20/h6-9,14,17,21H,2-5,10-13,15-16H2,1H3/t21-/m1/s1
InChIKeyNXNGUJYOLMUZOY-OAQYLSRUSA-N
XLogP2.52
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-oxoethyl]acetamide
CID 110085011
5-(cyclopentanecarbonyl)-N-[2-(4-fluorophenyl)ethyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide
CID 110248188
[4-(4-fluorophenyl)piperazin-1-yl]-(1-phenylpiperidin-4-yl)methanone
CID 17152277
cyclohexyl-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
CID 78777393
[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone
CID 72839491
cyclobutyl-[4-[4-(4-methylpiperidin-1-yl)phenyl]piperazin-1-yl]methanone
CID 113079073
4-(cyclopentanecarbonyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperazine-1-carboxamide
CID 78892291
(7R)-5-(cyclopentanecarbonyl)-2-methyl-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide
CID 95806124
[4-(4-fluorophenyl)piperazin-1-yl]-(1-methylsulfonylpiperidin-2-yl)methanone
CID 16580978
cyclobutyl-[4-(4-piperidin-1-ylphenyl)piperazin-1-yl]methanone
CID 113079016
[4-(4-fluorophenyl)piperazin-1-yl]-[1-(2-fluorophenyl)piperidin-4-yl]methanone
CID 17152590
2-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 2886463

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[(7R)-7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone?
The IUPAC name of cyclopentyl-[(7R)-7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone (CID 92621187) is cyclopentyl-[(7R)-7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone.
What is the SMILES notation for cyclopentyl-[(7R)-7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone?
The canonical SMILES for cyclopentyl-[(7R)-7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone is Cn1cc2c(n1)[C@H](C(=O)N1CCN(c3ccc(F)cc3)CC1)CN(C(=O)C1CCCC1)C2.
What is the InChIKey of cyclopentyl-[(7R)-7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone?
The InChIKey is NXNGUJYOLMUZOY-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H30FN5O2/c1-27-14-18-15-30(23(31)17-4-2-3-5-17)16-21(22(18)26-27)24(32)29-12-10-28(11-13-29)20-8-6-19(25)7-9-20/h6-9,14,17,21H,2-5,10-13,15-16H2,1H3/t21-/m1/s1.
What are the key properties of cyclopentyl-[(7R)-7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone?
cyclopentyl-[(7R)-7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone has a molecular weight of 439.54 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[(7R)-7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone is sourced from PubChem (CID 92621187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).