[4-(2-fluorophenyl)piperazin-1-yl]-[(3S)-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidin-3-yl]methanone

C25H27FN6O2 — CID 93069503

IUPAC[4-(2-fluorophenyl)piperazin-1-yl]-[(3S)-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidin-3-yl]methanone
SMILESO=C(c1cc(-c2cccnc2)n[nH]1)N1CCC[C@H](C(=O)N2CCN(c3ccccc3F)CC2)C1
InChIInChI=1S/C25H27FN6O2/c26-20-7-1-2-8-23(20)30-11-13-31(14-12-30)24(33)19-6-4-10-32(17-19)25(34)22-15-21(28-29-22)18-5-3-9-27-16-18/h1-3,5,7-9,15-16,19H,4,6,10-14,17H2,(H,28,29)/t19-/m0/s1
InChIKeyQXCNHWIAIBMDTD-IBGZPJMESA-N
MW462.53 g/mol
LogP2.81
Rot. Bonds4

About [4-(2-fluorophenyl)piperazin-1-yl]-[(3S)-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidin-3-yl]methanone

[4-(2-fluorophenyl)piperazin-1-yl]-[(3S)-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidin-3-yl]methanone (PubChem CID 93069503) has the molecular formula C25H27FN6O2 and a molecular weight of 462.53 g/mol. Its IUPAC name is [4-(2-fluorophenyl)piperazin-1-yl]-[(3S)-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name[4-(2-fluorophenyl)piperazin-1-yl]-[(3S)-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidin-3-yl]methanone
PubChem CID93069503
Molecular FormulaC25H27FN6O2
Molecular Weight462.53 g/mol
Exact Mass462.22
IUPAC Name[4-(2-fluorophenyl)piperazin-1-yl]-[(3S)-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidin-3-yl]methanone
SMILESO=C(c1cc(-c2cccnc2)n[nH]1)N1CCC[C@H](C(=O)N2CCN(c3ccccc3F)CC2)C1
InChIInChI=1S/C25H27FN6O2/c26-20-7-1-2-8-23(20)30-11-13-31(14-12-30)24(33)19-6-4-10-32(17-19)25(34)22-15-21(28-29-22)18-5-3-9-27-16-18/h1-3,5,7-9,15-16,19H,4,6,10-14,17H2,(H,28,29)/t19-/m0/s1
InChIKeyQXCNHWIAIBMDTD-IBGZPJMESA-N
XLogP2.81
TPSA85.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2,5-dimethylphenyl)piperazin-1-yl]-[(3R)-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidin-3-yl]methanone
CID 93069490
(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-[(3R)-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidin-3-yl]methanone
CID 93059395
[1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 50800047
(3R)-N-cyclopropyl-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 93069495
(3S)-N-[(4-fluorophenyl)methyl]-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 93069498
(3S)-N-[(2S)-butan-2-yl]-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 93069459
[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone
CID 125003762
2,2,2-trifluoro-1-[3-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 110344243
[4-(2-fluorophenyl)piperazin-1-yl]-[(3R)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone
CID 25348569
N-[(2-methoxyphenyl)methyl]-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 53087698
[(3R)-4-methyl-3-phenylpiperazin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone
CID 125026740
[3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 70755834

Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-[(3S)-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidin-3-yl]methanone?
The IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-[(3S)-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidin-3-yl]methanone (CID 93069503) is [4-(2-fluorophenyl)piperazin-1-yl]-[(3S)-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidin-3-yl]methanone.
What is the SMILES notation for [4-(2-fluorophenyl)piperazin-1-yl]-[(3S)-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidin-3-yl]methanone?
The canonical SMILES for [4-(2-fluorophenyl)piperazin-1-yl]-[(3S)-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidin-3-yl]methanone is O=C(c1cc(-c2cccnc2)n[nH]1)N1CCC[C@H](C(=O)N2CCN(c3ccccc3F)CC2)C1.
What is the InChIKey of [4-(2-fluorophenyl)piperazin-1-yl]-[(3S)-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidin-3-yl]methanone?
The InChIKey is QXCNHWIAIBMDTD-IBGZPJMESA-N. The full InChI is InChI=1S/C25H27FN6O2/c26-20-7-1-2-8-23(20)30-11-13-31(14-12-30)24(33)19-6-4-10-32(17-19)25(34)22-15-21(28-29-22)18-5-3-9-27-16-18/h1-3,5,7-9,15-16,19H,4,6,10-14,17H2,(H,28,29)/t19-/m0/s1.
What are the key properties of [4-(2-fluorophenyl)piperazin-1-yl]-[(3S)-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidin-3-yl]methanone?
[4-(2-fluorophenyl)piperazin-1-yl]-[(3S)-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidin-3-yl]methanone has a molecular weight of 462.53 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluorophenyl)piperazin-1-yl]-[(3S)-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidin-3-yl]methanone is sourced from PubChem (CID 93069503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).