[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[3-(1H-pyrazol-4-yl)phenyl]methanone

C21H22N4O2 — CID 56738167

IUPAC[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[3-(1H-pyrazol-4-yl)phenyl]methanone
SMILESCc1ccc(C2(O)CCN(C(=O)c3cccc(-c4cn[nH]c4)c3)CC2)nc1
InChIInChI=1S/C21H22N4O2/c1-15-5-6-19(22-12-15)21(27)7-9-25(10-8-21)20(26)17-4-2-3-16(11-17)18-13-23-24-14-18/h2-6,11-14,27H,7-10H2,1H3,(H,23,24)
InChIKeyKRRDBOXIWSWYDS-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.90
Rot. Bonds3

About [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[3-(1H-pyrazol-4-yl)phenyl]methanone

[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[3-(1H-pyrazol-4-yl)phenyl]methanone (PubChem CID 56738167) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[3-(1H-pyrazol-4-yl)phenyl]methanone.

Molecular Properties

Compound Name[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[3-(1H-pyrazol-4-yl)phenyl]methanone
PubChem CID56738167
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[3-(1H-pyrazol-4-yl)phenyl]methanone
SMILESCc1ccc(C2(O)CCN(C(=O)c3cccc(-c4cn[nH]c4)c3)CC2)nc1
InChIInChI=1S/C21H22N4O2/c1-15-5-6-19(22-12-15)21(27)7-9-25(10-8-21)20(26)17-4-2-3-16(11-17)18-13-23-24-14-18/h2-6,11-14,27H,7-10H2,1H3,(H,23,24)
InChIKeyKRRDBOXIWSWYDS-UHFFFAOYSA-N
XLogP2.90
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridin-2-yl)benzoic acid
CID 45487437
5-methyl-4-[(3-pyridin-4-ylphenyl)methyl]-1H-pyrazole-3-carboxylic acid
CID 71455285
5-methyl-4-[(3-pyridin-3-ylphenyl)methyl]-1H-pyrazole-3-carboxylic acid
CID 71458925
2-(5-Methyl-2-{(3R,6R)-6-methyl-1-[(2-phenylpyridin-3-yl)carbonyl]piperidin-3-yl}-2H-1,2,3-triazol-4-yl)propan-2-ol
CID 121314104
2-(1-{(3R,6R)-6-Methyl-1-[(2-phenylpyridin-3-yl)carbonyl]piperidin-3-yl}-1H-pyrazol-4-yl)propan-2-ol
CID 121314181
US10239838, Example 53
CID 121414034
US10239838, Example 12
CID 121414049
N-methyl-6-[4-(5-methyl-1H-pyrazole-4-carbonyl)morpholin-2-yl]pyridine-3-carboxamide
CID 110271996
3-fluoro-5-(2-hydroxypropan-2-yl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]benzamide
CID 177049945
4-(5-methylpyridin-2-yl)-1-[2-(1H-tetrazol-5-yl)benzoyl]piperidin-4-ol
CID 56750532
1-[(5-Methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)carbonyl]-4-pyridin-2-ylpiperidin-4-ol
CID 50967796
(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-(1H-pyrazol-4-yl)methanone
CID 91838716

Frequently Asked Questions

What is the IUPAC name of [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[3-(1H-pyrazol-4-yl)phenyl]methanone?
The IUPAC name of [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[3-(1H-pyrazol-4-yl)phenyl]methanone (CID 56738167) is [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[3-(1H-pyrazol-4-yl)phenyl]methanone.
What is the SMILES notation for [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[3-(1H-pyrazol-4-yl)phenyl]methanone?
The canonical SMILES for [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[3-(1H-pyrazol-4-yl)phenyl]methanone is Cc1ccc(C2(O)CCN(C(=O)c3cccc(-c4cn[nH]c4)c3)CC2)nc1.
What is the InChIKey of [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[3-(1H-pyrazol-4-yl)phenyl]methanone?
The InChIKey is KRRDBOXIWSWYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-15-5-6-19(22-12-15)21(27)7-9-25(10-8-21)20(26)17-4-2-3-16(11-17)18-13-23-24-14-18/h2-6,11-14,27H,7-10H2,1H3,(H,23,24).
What are the key properties of [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[3-(1H-pyrazol-4-yl)phenyl]methanone?
[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[3-(1H-pyrazol-4-yl)phenyl]methanone has a molecular weight of 362.43 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[3-(1H-pyrazol-4-yl)phenyl]methanone is sourced from PubChem (CID 56738167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).