[3-(4-methylsulfonylphenyl)-2-phenylpyrazolo[1,5-a]pyridin-6-yl]methanol

C21H18N2O3S — CID 139886938

IUPAC[3-(4-methylsulfonylphenyl)-2-phenylpyrazolo[1,5-a]pyridin-6-yl]methanol
SMILESCS(=O)(=O)c1ccc(-c2c(-c3ccccc3)nn3cc(CO)ccc23)cc1
InChIInChI=1S/C21H18N2O3S/c1-27(25,26)18-10-8-16(9-11-18)20-19-12-7-15(14-24)13-23(19)22-21(20)17-5-3-2-4-6-17/h2-13,24H,14H2,1H3
InChIKeyVUGRVONLDZFURA-UHFFFAOYSA-N
MW378.45 g/mol
LogP3.56
Rot. Bonds4

About [3-(4-methylsulfonylphenyl)-2-phenylpyrazolo[1,5-a]pyridin-6-yl]methanol

[3-(4-methylsulfonylphenyl)-2-phenylpyrazolo[1,5-a]pyridin-6-yl]methanol (PubChem CID 139886938) has the molecular formula C21H18N2O3S and a molecular weight of 378.45 g/mol. Its IUPAC name is [3-(4-methylsulfonylphenyl)-2-phenylpyrazolo[1,5-a]pyridin-6-yl]methanol.

Molecular Properties

Compound Name[3-(4-methylsulfonylphenyl)-2-phenylpyrazolo[1,5-a]pyridin-6-yl]methanol
PubChem CID139886938
Molecular FormulaC21H18N2O3S
Molecular Weight378.45 g/mol
Exact Mass378.10
IUPAC Name[3-(4-methylsulfonylphenyl)-2-phenylpyrazolo[1,5-a]pyridin-6-yl]methanol
SMILESCS(=O)(=O)c1ccc(-c2c(-c3ccccc3)nn3cc(CO)ccc23)cc1
InChIInChI=1S/C21H18N2O3S/c1-27(25,26)18-10-8-16(9-11-18)20-19-12-7-15(14-24)13-23(19)22-21(20)17-5-3-2-4-6-17/h2-13,24H,14H2,1H3
InChIKeyVUGRVONLDZFURA-UHFFFAOYSA-N
XLogP3.56
TPSA71.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methylsulfonylphenyl)-2-phenylpyrazolo[1,5-a]pyridine-6-carbonitrile
CID 139886716
N,N-dimethyl-4-[3-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyridin-2-yl]aniline
CID 139886857
2-[3-(4-methylsulfonylphenyl)-4-phenylpyrazol-1-yl]acetic acid
CID 18914548
6-fluoro-2,3-diphenylpyrazolo[1,5-a]pyridine
CID 164668697
[4-(3-fluoro-4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-2-(2-phenylethyl)pyrazol-3-yl]methanol
CID 19355488
[2-methyl-4-(4-methylsulfonylphenyl)-5-pyridin-4-ylpyrazol-3-yl]methanol
CID 19355404
2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-7H-pyrazolo[1,5-b]pyridazin-6-one
CID 22562342
2-(5-methyl-2-pyridinyl)-3-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyridine
CID 139886821
[5-(4-methylsulfonylphenyl)-1-phenylpyrazol-3-yl]methanol
CID 22014688
(2S)-2-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-6-yl]methylamino]propanoic acid
CID 178078983
3-(4-methylphenyl)-2-phenylpyrazolo[1,5-a]pyridine
CID 18342925
1-benzyl-4-(4-methylphenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazole
CID 19355927

Frequently Asked Questions

What is the IUPAC name of [3-(4-methylsulfonylphenyl)-2-phenylpyrazolo[1,5-a]pyridin-6-yl]methanol?
The IUPAC name of [3-(4-methylsulfonylphenyl)-2-phenylpyrazolo[1,5-a]pyridin-6-yl]methanol (CID 139886938) is [3-(4-methylsulfonylphenyl)-2-phenylpyrazolo[1,5-a]pyridin-6-yl]methanol.
What is the SMILES notation for [3-(4-methylsulfonylphenyl)-2-phenylpyrazolo[1,5-a]pyridin-6-yl]methanol?
The canonical SMILES for [3-(4-methylsulfonylphenyl)-2-phenylpyrazolo[1,5-a]pyridin-6-yl]methanol is CS(=O)(=O)c1ccc(-c2c(-c3ccccc3)nn3cc(CO)ccc23)cc1.
What is the InChIKey of [3-(4-methylsulfonylphenyl)-2-phenylpyrazolo[1,5-a]pyridin-6-yl]methanol?
The InChIKey is VUGRVONLDZFURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3S/c1-27(25,26)18-10-8-16(9-11-18)20-19-12-7-15(14-24)13-23(19)22-21(20)17-5-3-2-4-6-17/h2-13,24H,14H2,1H3.
What are the key properties of [3-(4-methylsulfonylphenyl)-2-phenylpyrazolo[1,5-a]pyridin-6-yl]methanol?
[3-(4-methylsulfonylphenyl)-2-phenylpyrazolo[1,5-a]pyridin-6-yl]methanol has a molecular weight of 378.45 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methylsulfonylphenyl)-2-phenylpyrazolo[1,5-a]pyridin-6-yl]methanol is sourced from PubChem (CID 139886938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).