1-[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyridin-5-yl]ethane-1,2-diol

C21H18N6O2S — CID 58095295

IUPAC1-[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyridin-5-yl]ethane-1,2-diol
SMILESCc1nn2ccc(C(O)CO)cc2c1-c1nc(-c2ccccc2)c(-c2ncn[nH]2)s1
InChIInChI=1S/C21H18N6O2S/c1-12-17(15-9-14(16(29)10-28)7-8-27(15)26-12)21-24-18(13-5-3-2-4-6-13)19(30-21)20-22-11-23-25-20/h2-9,11,16,28-29H,10H2,1H3,(H,22,23,25)
InChIKeyVBTSWCHKCNRBQW-UHFFFAOYSA-N
MW418.48 g/mol
LogP3.24
Rot. Bonds5

About 1-[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyridin-5-yl]ethane-1,2-diol

1-[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyridin-5-yl]ethane-1,2-diol (PubChem CID 58095295) has the molecular formula C21H18N6O2S and a molecular weight of 418.48 g/mol. Its IUPAC name is 1-[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyridin-5-yl]ethane-1,2-diol.

Molecular Properties

Compound Name1-[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyridin-5-yl]ethane-1,2-diol
PubChem CID58095295
Molecular FormulaC21H18N6O2S
Molecular Weight418.48 g/mol
Exact Mass418.12
IUPAC Name1-[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyridin-5-yl]ethane-1,2-diol
SMILESCc1nn2ccc(C(O)CO)cc2c1-c1nc(-c2ccccc2)c(-c2ncn[nH]2)s1
InChIInChI=1S/C21H18N6O2S/c1-12-17(15-9-14(16(29)10-28)7-8-27(15)26-12)21-24-18(13-5-3-2-4-6-13)19(30-21)20-22-11-23-25-20/h2-9,11,16,28-29H,10H2,1H3,(H,22,23,25)
InChIKeyVBTSWCHKCNRBQW-UHFFFAOYSA-N
XLogP3.24
TPSA112.22 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyridin-5-yl]ethane-1,2-diol?
The IUPAC name of 1-[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyridin-5-yl]ethane-1,2-diol (CID 58095295) is 1-[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyridin-5-yl]ethane-1,2-diol.
What is the SMILES notation for 1-[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyridin-5-yl]ethane-1,2-diol?
The canonical SMILES for 1-[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyridin-5-yl]ethane-1,2-diol is Cc1nn2ccc(C(O)CO)cc2c1-c1nc(-c2ccccc2)c(-c2ncn[nH]2)s1.
What is the InChIKey of 1-[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyridin-5-yl]ethane-1,2-diol?
The InChIKey is VBTSWCHKCNRBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O2S/c1-12-17(15-9-14(16(29)10-28)7-8-27(15)26-12)21-24-18(13-5-3-2-4-6-13)19(30-21)20-22-11-23-25-20/h2-9,11,16,28-29H,10H2,1H3,(H,22,23,25).
What are the key properties of 1-[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyridin-5-yl]ethane-1,2-diol?
1-[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyridin-5-yl]ethane-1,2-diol has a molecular weight of 418.48 g/mol, XLogP of 3.24, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyridin-5-yl]ethane-1,2-diol is sourced from PubChem (CID 58095295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).