1-[1-(2-fluorophenyl)pyrazole-3-carbonyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide

C22H22FN5O2 — CID 55896431

IUPAC1-[1-(2-fluorophenyl)pyrazole-3-carbonyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCc1cccnc1NC(=O)C1CCCN(C(=O)c2ccn(-c3ccccc3F)n2)C1
InChIInChI=1S/C22H22FN5O2/c1-15-6-4-11-24-20(15)25-21(29)16-7-5-12-27(14-16)22(30)18-10-13-28(26-18)19-9-3-2-8-17(19)23/h2-4,6,8-11,13,16H,5,7,12,14H2,1H3,(H,24,25,29)
InChIKeyKVVLRDULXXOATB-UHFFFAOYSA-N
MW407.45 g/mol
LogP3.21
Rot. Bonds4

About 1-[1-(2-fluorophenyl)pyrazole-3-carbonyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide

1-[1-(2-fluorophenyl)pyrazole-3-carbonyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide (PubChem CID 55896431) has the molecular formula C22H22FN5O2 and a molecular weight of 407.45 g/mol. Its IUPAC name is 1-[1-(2-fluorophenyl)pyrazole-3-carbonyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[1-(2-fluorophenyl)pyrazole-3-carbonyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
PubChem CID55896431
Molecular FormulaC22H22FN5O2
Molecular Weight407.45 g/mol
Exact Mass407.18
IUPAC Name1-[1-(2-fluorophenyl)pyrazole-3-carbonyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCc1cccnc1NC(=O)C1CCCN(C(=O)c2ccn(-c3ccccc3F)n2)C1
InChIInChI=1S/C22H22FN5O2/c1-15-6-4-11-24-20(15)25-21(29)16-7-5-12-27(14-16)22(30)18-10-13-28(26-18)19-9-3-2-8-17(19)23/h2-4,6,8-11,13,16H,5,7,12,14H2,1H3,(H,24,25,29)
InChIKeyKVVLRDULXXOATB-UHFFFAOYSA-N
XLogP3.21
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(2-fluorophenyl)pyrazol-3-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119487860
N-(3-methyl-2-pyridinyl)-1-(2,3,4,5-tetrafluorobenzoyl)piperidine-3-carboxamide
CID 71939394
1-(2,4-dichloro-5-fluorobenzoyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 60531808
1-N-cyclooctyl-3-N-(3-methyl-2-pyridinyl)piperidine-1,3-dicarboxamide
CID 71889679
1-(2-chloropyridine-4-carbonyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55895416
(3R)-1-(1-methylindole-3-carbonyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 52514561
1-(1-methylindole-2-carbonyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55896436
(3R)-1-(1H-indazole-7-carbonyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 52503770
(3S)-N-(3-methyl-2-pyridinyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 25352704
[(3S)-3-aminopyrrolidin-1-yl]-[1-(2-fluorophenyl)pyrazol-3-yl]methanone
CID 124574217
1-(3,5-dichloro-4-methoxybenzoyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55958705
1-[1-(2-fluorophenyl)pyrazole-3-carbonyl]-5-methylpiperidine-3-carboxylic acid
CID 122118645

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluorophenyl)pyrazole-3-carbonyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of 1-[1-(2-fluorophenyl)pyrazole-3-carbonyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide (CID 55896431) is 1-[1-(2-fluorophenyl)pyrazole-3-carbonyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[1-(2-fluorophenyl)pyrazole-3-carbonyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[1-(2-fluorophenyl)pyrazole-3-carbonyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide is Cc1cccnc1NC(=O)C1CCCN(C(=O)c2ccn(-c3ccccc3F)n2)C1.
What is the InChIKey of 1-[1-(2-fluorophenyl)pyrazole-3-carbonyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide?
The InChIKey is KVVLRDULXXOATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O2/c1-15-6-4-11-24-20(15)25-21(29)16-7-5-12-27(14-16)22(30)18-10-13-28(26-18)19-9-3-2-8-17(19)23/h2-4,6,8-11,13,16H,5,7,12,14H2,1H3,(H,24,25,29).
What are the key properties of 1-[1-(2-fluorophenyl)pyrazole-3-carbonyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide?
1-[1-(2-fluorophenyl)pyrazole-3-carbonyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide has a molecular weight of 407.45 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-fluorophenyl)pyrazole-3-carbonyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 55896431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).