[3-(2-methylsulfanylpyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-phenylmethanol

C19H16N4OS — CID 10315728

IUPAC[3-(2-methylsulfanylpyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-phenylmethanol
SMILESCSc1nccc(-c2c(C(O)c3ccccc3)nn3ccccc23)n1
InChIInChI=1S/C19H16N4OS/c1-25-19-20-11-10-14(21-19)16-15-9-5-6-12-23(15)22-17(16)18(24)13-7-3-2-4-8-13/h2-12,18,24H,1H3
InChIKeyBDKHTNNGEWFWOS-UHFFFAOYSA-N
MW348.43 g/mol
LogP3.59
Rot. Bonds4

About [3-(2-methylsulfanylpyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-phenylmethanol

[3-(2-methylsulfanylpyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-phenylmethanol (PubChem CID 10315728) has the molecular formula C19H16N4OS and a molecular weight of 348.43 g/mol. Its IUPAC name is [3-(2-methylsulfanylpyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-phenylmethanol.

Molecular Properties

Compound Name[3-(2-methylsulfanylpyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-phenylmethanol
PubChem CID10315728
Molecular FormulaC19H16N4OS
Molecular Weight348.43 g/mol
Exact Mass348.10
IUPAC Name[3-(2-methylsulfanylpyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-phenylmethanol
SMILESCSc1nccc(-c2c(C(O)c3ccccc3)nn3ccccc23)n1
InChIInChI=1S/C19H16N4OS/c1-25-19-20-11-10-14(21-19)16-15-9-5-6-12-23(15)22-17(16)18(24)13-7-3-2-4-8-13/h2-12,18,24H,1H3
InChIKeyBDKHTNNGEWFWOS-UHFFFAOYSA-N
XLogP3.59
TPSA63.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[[5-(3-Propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]methanol
CID 59186268
4-[(4-Pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)amino]cyclohexan-1-ol
CID 24961001
[6-Phenyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridin-4-yl]methanol
CID 71602073
[3-[4-(Pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-6-yl]phenyl]methanol
CID 118711858
[4-[4-(Pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-6-yl]phenyl]methanol
CID 118711860
3-[[4-[2-(Hydroxymethyl)pyrazolo[1,5-b]pyridazin-3-yl]pyrimidin-2-yl]amino]benzonitrile
CID 155513583
3-[[4-[2-(1-Hydroxyethyl)pyrazolo[1,5-b]pyridazin-3-yl]pyrimidin-2-yl]amino]benzonitrile
CID 155538897
US10577367, Example 405
CID 118663641
US10246456, Example 403
CID 118664096
US10246456, Example 404
CID 118664118
US10246456, Example 130
CID 118664458
US10577367, Example 406
CID 118664732

Frequently Asked Questions

What is the IUPAC name of [3-(2-methylsulfanylpyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-phenylmethanol?
The IUPAC name of [3-(2-methylsulfanylpyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-phenylmethanol (CID 10315728) is [3-(2-methylsulfanylpyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-phenylmethanol.
What is the SMILES notation for [3-(2-methylsulfanylpyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-phenylmethanol?
The canonical SMILES for [3-(2-methylsulfanylpyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-phenylmethanol is CSc1nccc(-c2c(C(O)c3ccccc3)nn3ccccc23)n1.
What is the InChIKey of [3-(2-methylsulfanylpyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-phenylmethanol?
The InChIKey is BDKHTNNGEWFWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS/c1-25-19-20-11-10-14(21-19)16-15-9-5-6-12-23(15)22-17(16)18(24)13-7-3-2-4-8-13/h2-12,18,24H,1H3.
What are the key properties of [3-(2-methylsulfanylpyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-phenylmethanol?
[3-(2-methylsulfanylpyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-phenylmethanol has a molecular weight of 348.43 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methylsulfanylpyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-phenylmethanol is sourced from PubChem (CID 10315728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).