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

C21H22N4O2 — CID 95124482

IUPAC[4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone
SMILESO=C(c1ccc(-c2ccn[nH]2)cc1)N1CCC([C@H](O)c2ccccn2)CC1
InChIInChI=1S/C21H22N4O2/c26-20(19-3-1-2-11-22-19)16-9-13-25(14-10-16)21(27)17-6-4-15(5-7-17)18-8-12-23-24-18/h1-8,11-12,16,20,26H,9-10,13-14H2,(H,23,24)/t20-/m0/s1
InChIKeyDTSPXQFKWSEJFT-FQEVSTJZSA-N
MW362.43 g/mol
LogP3.06
Rot. Bonds4

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

[4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone (PubChem CID 95124482) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is [4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone.

Molecular Properties

Compound Name[4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone
PubChem CID95124482
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name[4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone
SMILESO=C(c1ccc(-c2ccn[nH]2)cc1)N1CCC([C@H](O)c2ccccn2)CC1
InChIInChI=1S/C21H22N4O2/c26-20(19-3-1-2-11-22-19)16-9-13-25(14-10-16)21(27)17-6-4-15(5-7-17)18-8-12-23-24-18/h1-8,11-12,16,20,26H,9-10,13-14H2,(H,23,24)/t20-/m0/s1
InChIKeyDTSPXQFKWSEJFT-FQEVSTJZSA-N
XLogP3.06
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-(4-pyrazolidin-3-ylphenyl)methanone
CID 75590068
2H-benzotriazol-5-yl-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]methanone
CID 99937481
7-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidine-1-carbonyl]-3,4-dihydro-1H-quinoxalin-2-one
CID 99933809
[3-(3-hydroxyphenyl)phenyl]-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]methanone
CID 119062941
[4-(1H-pyrazol-5-yl)phenyl]-(3-pyridin-2-ylazetidin-1-yl)methanone
CID 72897730
[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-(1H-imidazol-5-yl)methanone
CID 91772101
1-benzothiophen-2-yl-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]methanone
CID 90651890
[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone
CID 90650827
[4-(1H-pyrazol-5-yl)phenyl]-(4-thiomorpholin-4-ylpiperidin-1-yl)methanone
CID 72905498
[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 70704336
1-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-pyridin-2-ylethanone
CID 77091494
(2-amino-4-methylpyrimidin-5-yl)-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]methanone
CID 99947231

Frequently Asked Questions

What is the IUPAC name of [4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone?
The IUPAC name of [4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone (CID 95124482) is [4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone.
What is the SMILES notation for [4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone?
The canonical SMILES for [4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone is O=C(c1ccc(-c2ccn[nH]2)cc1)N1CCC([C@H](O)c2ccccn2)CC1.
What is the InChIKey of [4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone?
The InChIKey is DTSPXQFKWSEJFT-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H22N4O2/c26-20(19-3-1-2-11-22-19)16-9-13-25(14-10-16)21(27)17-6-4-15(5-7-17)18-8-12-23-24-18/h1-8,11-12,16,20,26H,9-10,13-14H2,(H,23,24)/t20-/m0/s1.
What are the key properties of [4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone?
[4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone has a molecular weight of 362.43 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone is sourced from PubChem (CID 95124482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).