4-benzyl-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxamide

C19H16N4OS — CID 66856056

IUPAC4-benzyl-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxamide
SMILESCc1nn2ccccc2c1-c1nc(Cc2ccccc2)c(C(N)=O)s1
InChIInChI=1S/C19H16N4OS/c1-12-16(15-9-5-6-10-23(15)22-12)19-21-14(17(25-19)18(20)24)11-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H2,20,24)
InChIKeyRTNLWJXLASTUHM-UHFFFAOYSA-N
MW348.43 g/mol
LogP3.46
Rot. Bonds4

About 4-benzyl-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxamide

4-benzyl-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxamide (PubChem CID 66856056) has the molecular formula C19H16N4OS and a molecular weight of 348.43 g/mol. Its IUPAC name is 4-benzyl-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-benzyl-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxamide
PubChem CID66856056
Molecular FormulaC19H16N4OS
Molecular Weight348.43 g/mol
Exact Mass348.10
IUPAC Name4-benzyl-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxamide
SMILESCc1nn2ccccc2c1-c1nc(Cc2ccccc2)c(C(N)=O)s1
InChIInChI=1S/C19H16N4OS/c1-12-16(15-9-5-6-10-23(15)22-12)19-21-14(17(25-19)18(20)24)11-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H2,20,24)
InChIKeyRTNLWJXLASTUHM-UHFFFAOYSA-N
XLogP3.46
TPSA73.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-benzyl-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxamide (CID 66856056) is 4-benzyl-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-benzyl-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-benzyl-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxamide is Cc1nn2ccccc2c1-c1nc(Cc2ccccc2)c(C(N)=O)s1.
What is the InChIKey of 4-benzyl-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is RTNLWJXLASTUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS/c1-12-16(15-9-5-6-10-23(15)22-12)19-21-14(17(25-19)18(20)24)11-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H2,20,24).
What are the key properties of 4-benzyl-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxamide?
4-benzyl-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 348.43 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 66856056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).