6-[1-[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-3-cyclohexylpyridine-2-carboxylic acid

C24H28F4N4O3 — CID 89483668

IUPAC6-[1-[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-3-cyclohexylpyridine-2-carboxylic acid
SMILESO=C(O)c1nc(C2CCN(C(=O)Cn3nc(C(F)F)cc3C(F)F)CC2)ccc1C1CCCCC1
InChIInChI=1S/C24H28F4N4O3/c25-22(26)18-12-19(23(27)28)32(30-18)13-20(33)31-10-8-15(9-11-31)17-7-6-16(21(29-17)24(34)35)14-4-2-1-3-5-14/h6-7,12,14-15,22-23H,1-5,8-11,13H2,(H,34,35)
InChIKeyDEWRIAZWJYBBCT-UHFFFAOYSA-N
MW496.51 g/mol
LogP5.31
Rot. Bonds7

About 6-[1-[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-3-cyclohexylpyridine-2-carboxylic acid

6-[1-[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-3-cyclohexylpyridine-2-carboxylic acid (PubChem CID 89483668) has the molecular formula C24H28F4N4O3 and a molecular weight of 496.51 g/mol. Its IUPAC name is 6-[1-[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-3-cyclohexylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[1-[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-3-cyclohexylpyridine-2-carboxylic acid
PubChem CID89483668
Molecular FormulaC24H28F4N4O3
Molecular Weight496.51 g/mol
Exact Mass496.21
IUPAC Name6-[1-[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-3-cyclohexylpyridine-2-carboxylic acid
SMILESO=C(O)c1nc(C2CCN(C(=O)Cn3nc(C(F)F)cc3C(F)F)CC2)ccc1C1CCCCC1
InChIInChI=1S/C24H28F4N4O3/c25-22(26)18-12-19(23(27)28)32(30-18)13-20(33)31-10-8-15(9-11-31)17-7-6-16(21(29-17)24(34)35)14-4-2-1-3-5-14/h6-7,12,14-15,22-23H,1-5,8-11,13H2,(H,34,35)
InChIKeyDEWRIAZWJYBBCT-UHFFFAOYSA-N
XLogP5.31
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.51
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[1-[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-3-cyclohexylpyridine-2-carboxylic acid with MolForge

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Related Compounds

6-[[2-Phenyl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
CID 60151152
3-{4-[(3-isopropyl-1-methyl-1H-pyrazol-5-yl)carbonyl]-1-piperazinyl}benzoic acid
CID 72917065
3-[(R)-cyclopropyl-hydroxy-[6-(trifluoromethyl)-3-pyridinyl]methyl]-6-ethyl-2-methylpyrazolo[3,4-c]pyridin-7-one
CID 177913695
6-ethyl-3-[(1R)-1-hydroxy-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-2-methylpyrazolo[3,4-c]pyridin-7-one
CID 177913762
1-(cyclopropylmethyl)-5-(isoquinolin-1-ylcarbonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 56759867
2-Benzyl-5-{[6-(methoxymethyl)pyridin-2-yl]carbonyl}-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 74247097
4-[(3R)-3-[[[3-(difluoromethyl)-1-methylpyrazole-5-carbonyl]amino]methyl]piperidin-1-yl]pyridine-2-carboxylic acid
CID 164642359
2-(2-aminoethyl)-5-[2-[(E)-2-phenylethenyl]pyridin-4-yl]pyrazole-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 10478823
[6-Hydroxymethyl-3-methyl-5-(3-trifluoromethyl-phenyl)-pyridin-2-yl]-(4-pyrrolidin-1-yl-piperidin-1-yl)-methanone
CID 44547505
5-Methyl-6-(4-pyrrolidin-1-yl-piperidine-1-carbonyl)-3-(3-trifluoromethyl-phenyl)-pyridine-2-carboxylic acid
CID 57441165
6-(4-(4-Fluorobenzyl)piperazine-1-carbonyl)picolinic acid
CID 58073440
6-(4-{[3,5-Bis(difluoromethyl)-1H-pyrazol-1-yl]acetyl}piperazin-1-yl)pyridine-2-carboxylic acid
CID 66686706

Frequently Asked Questions

What is the IUPAC name of 6-[1-[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-3-cyclohexylpyridine-2-carboxylic acid?
The IUPAC name of 6-[1-[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-3-cyclohexylpyridine-2-carboxylic acid (CID 89483668) is 6-[1-[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-3-cyclohexylpyridine-2-carboxylic acid.
What is the SMILES notation for 6-[1-[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-3-cyclohexylpyridine-2-carboxylic acid?
The canonical SMILES for 6-[1-[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-3-cyclohexylpyridine-2-carboxylic acid is O=C(O)c1nc(C2CCN(C(=O)Cn3nc(C(F)F)cc3C(F)F)CC2)ccc1C1CCCCC1.
What is the InChIKey of 6-[1-[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-3-cyclohexylpyridine-2-carboxylic acid?
The InChIKey is DEWRIAZWJYBBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F4N4O3/c25-22(26)18-12-19(23(27)28)32(30-18)13-20(33)31-10-8-15(9-11-31)17-7-6-16(21(29-17)24(34)35)14-4-2-1-3-5-14/h6-7,12,14-15,22-23H,1-5,8-11,13H2,(H,34,35).
What are the key properties of 6-[1-[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-3-cyclohexylpyridine-2-carboxylic acid?
6-[1-[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-3-cyclohexylpyridine-2-carboxylic acid has a molecular weight of 496.51 g/mol, XLogP of 5.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-3-cyclohexylpyridine-2-carboxylic acid is sourced from PubChem (CID 89483668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).