[4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]methanol

C20H16N6OS — CID 58095101

IUPAC[4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]methanol
SMILESCc1nn2ccccc2c1-c1nc(-c2ccc(CO)cc2)c(-c2ncn[nH]2)s1
InChIInChI=1S/C20H16N6OS/c1-12-16(15-4-2-3-9-26(15)25-12)20-23-17(14-7-5-13(10-27)6-8-14)18(28-20)19-21-11-22-24-19/h2-9,11,27H,10H2,1H3,(H,21,22,24)
InChIKeyYPVZWLFOIYIRNS-UHFFFAOYSA-N
MW388.46 g/mol
LogP3.71
Rot. Bonds4

About [4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]methanol

[4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]methanol (PubChem CID 58095101) has the molecular formula C20H16N6OS and a molecular weight of 388.46 g/mol. Its IUPAC name is [4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]methanol
PubChem CID58095101
Molecular FormulaC20H16N6OS
Molecular Weight388.46 g/mol
Exact Mass388.11
IUPAC Name[4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]methanol
SMILESCc1nn2ccccc2c1-c1nc(-c2ccc(CO)cc2)c(-c2ncn[nH]2)s1
InChIInChI=1S/C20H16N6OS/c1-12-16(15-4-2-3-9-26(15)25-12)20-23-17(14-7-5-13(10-27)6-8-14)18(28-20)19-21-11-22-24-19/h2-9,11,27H,10H2,1H3,(H,21,22,24)
InChIKeyYPVZWLFOIYIRNS-UHFFFAOYSA-N
XLogP3.71
TPSA91.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]methanol?
The IUPAC name of [4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]methanol (CID 58095101) is [4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]methanol.
What is the SMILES notation for [4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]methanol?
The canonical SMILES for [4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]methanol is Cc1nn2ccccc2c1-c1nc(-c2ccc(CO)cc2)c(-c2ncn[nH]2)s1.
What is the InChIKey of [4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]methanol?
The InChIKey is YPVZWLFOIYIRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6OS/c1-12-16(15-4-2-3-9-26(15)25-12)20-23-17(14-7-5-13(10-27)6-8-14)18(28-20)19-21-11-22-24-19/h2-9,11,27H,10H2,1H3,(H,21,22,24).
What are the key properties of [4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]methanol?
[4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]methanol has a molecular weight of 388.46 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]methanol is sourced from PubChem (CID 58095101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).