1-[3-[2-(difluoromethoxy)-4-pyridinyl]-1H-pyrazole-5-carbonyl]-N-(4-methylcyclohexyl)piperidine-4-carboxamide

C23H29F2N5O3 — CID 167375058

IUPAC1-[3-[2-(difluoromethoxy)-4-pyridinyl]-1H-pyrazole-5-carbonyl]-N-(4-methylcyclohexyl)piperidine-4-carboxamide
SMILESCC1CCC(NC(=O)C2CCN(C(=O)c3cc(-c4ccnc(OC(F)F)c4)n[nH]3)CC2)CC1
InChIInChI=1S/C23H29F2N5O3/c1-14-2-4-17(5-3-14)27-21(31)15-7-10-30(11-8-15)22(32)19-13-18(28-29-19)16-6-9-26-20(12-16)33-23(24)25/h6,9,12-15,17,23H,2-5,7-8,10-11H2,1H3,(H,27,31)(H,28,29)
InChIKeyOUOOQLXOZSULAD-UHFFFAOYSA-N
MW461.51 g/mol
LogP3.62
Rot. Bonds6

About 1-[3-[2-(difluoromethoxy)-4-pyridinyl]-1H-pyrazole-5-carbonyl]-N-(4-methylcyclohexyl)piperidine-4-carboxamide

1-[3-[2-(difluoromethoxy)-4-pyridinyl]-1H-pyrazole-5-carbonyl]-N-(4-methylcyclohexyl)piperidine-4-carboxamide (PubChem CID 167375058) has the molecular formula C23H29F2N5O3 and a molecular weight of 461.51 g/mol. Its IUPAC name is 1-[3-[2-(difluoromethoxy)-4-pyridinyl]-1H-pyrazole-5-carbonyl]-N-(4-methylcyclohexyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-[2-(difluoromethoxy)-4-pyridinyl]-1H-pyrazole-5-carbonyl]-N-(4-methylcyclohexyl)piperidine-4-carboxamide
PubChem CID167375058
Molecular FormulaC23H29F2N5O3
Molecular Weight461.51 g/mol
Exact Mass461.22
IUPAC Name1-[3-[2-(difluoromethoxy)-4-pyridinyl]-1H-pyrazole-5-carbonyl]-N-(4-methylcyclohexyl)piperidine-4-carboxamide
SMILESCC1CCC(NC(=O)C2CCN(C(=O)c3cc(-c4ccnc(OC(F)F)c4)n[nH]3)CC2)CC1
InChIInChI=1S/C23H29F2N5O3/c1-14-2-4-17(5-3-14)27-21(31)15-7-10-30(11-8-15)22(32)19-13-18(28-29-19)16-6-9-26-20(12-16)33-23(24)25/h6,9,12-15,17,23H,2-5,7-8,10-11H2,1H3,(H,27,31)(H,28,29)
InChIKeyOUOOQLXOZSULAD-UHFFFAOYSA-N
XLogP3.62
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.51
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[3-[2-(difluoromethoxy)-4-pyridinyl]-1H-pyrazole-5-carbonyl]-N-(4-methylcyclohexyl)piperidine-4-carboxamide with MolForge

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Related Compounds

1-[3-(2-cyclopropyl-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(4-methylcyclohexyl)piperidine-4-carboxamide
CID 163295763
4-[5-[4-[(4-methylcyclohexyl)carbamoyl]piperidine-1-carbonyl]-1H-pyrazol-3-yl]pyridine-2-carboxylic acid
CID 169006139
1-[3-[2-(dimethylamino)-4-pyridinyl]-1H-pyrazole-5-carbonyl]-N-(4-methylcyclohexyl)piperidine-4-carboxamide
CID 167375375
N-(4-methylcyclohexyl)-1-(3-pyrimidin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 163294964
1-[3-(2-methoxy-3-methyl-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(4-methylcyclohexyl)piperidine-4-carboxamide
CID 163295438
N-cyclooctyl-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 53087505
N-(1-methylpiperidin-4-yl)-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 163295106
N-cyclopentyl-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 53087604
(3R)-N-cycloheptyl-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 94080403
[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 20864968
(3S)-N-cyclopropyl-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 92892702
N-(3-methylbutan-2-yl)-1-(3-phenyl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 51129977

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(difluoromethoxy)-4-pyridinyl]-1H-pyrazole-5-carbonyl]-N-(4-methylcyclohexyl)piperidine-4-carboxamide?
The IUPAC name of 1-[3-[2-(difluoromethoxy)-4-pyridinyl]-1H-pyrazole-5-carbonyl]-N-(4-methylcyclohexyl)piperidine-4-carboxamide (CID 167375058) is 1-[3-[2-(difluoromethoxy)-4-pyridinyl]-1H-pyrazole-5-carbonyl]-N-(4-methylcyclohexyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-[2-(difluoromethoxy)-4-pyridinyl]-1H-pyrazole-5-carbonyl]-N-(4-methylcyclohexyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[3-[2-(difluoromethoxy)-4-pyridinyl]-1H-pyrazole-5-carbonyl]-N-(4-methylcyclohexyl)piperidine-4-carboxamide is CC1CCC(NC(=O)C2CCN(C(=O)c3cc(-c4ccnc(OC(F)F)c4)n[nH]3)CC2)CC1.
What is the InChIKey of 1-[3-[2-(difluoromethoxy)-4-pyridinyl]-1H-pyrazole-5-carbonyl]-N-(4-methylcyclohexyl)piperidine-4-carboxamide?
The InChIKey is OUOOQLXOZSULAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29F2N5O3/c1-14-2-4-17(5-3-14)27-21(31)15-7-10-30(11-8-15)22(32)19-13-18(28-29-19)16-6-9-26-20(12-16)33-23(24)25/h6,9,12-15,17,23H,2-5,7-8,10-11H2,1H3,(H,27,31)(H,28,29).
What are the key properties of 1-[3-[2-(difluoromethoxy)-4-pyridinyl]-1H-pyrazole-5-carbonyl]-N-(4-methylcyclohexyl)piperidine-4-carboxamide?
1-[3-[2-(difluoromethoxy)-4-pyridinyl]-1H-pyrazole-5-carbonyl]-N-(4-methylcyclohexyl)piperidine-4-carboxamide has a molecular weight of 461.51 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(difluoromethoxy)-4-pyridinyl]-1H-pyrazole-5-carbonyl]-N-(4-methylcyclohexyl)piperidine-4-carboxamide is sourced from PubChem (CID 167375058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).