5-benzyl-1-methyl-N-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrazole-4-carboxamide

C19H17N5OS — CID 167854994

IUPAC5-benzyl-1-methyl-N-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrazole-4-carboxamide
SMILESCc1ccc2nc(NC(=O)c3cnn(C)c3Cc3ccccc3)sc2n1
InChIInChI=1S/C19H17N5OS/c1-12-8-9-15-18(21-12)26-19(22-15)23-17(25)14-11-20-24(2)16(14)10-13-6-4-3-5-7-13/h3-9,11H,10H2,1-2H3,(H,22,23,25)
InChIKeyFBBKGKCUSASGBS-UHFFFAOYSA-N
MW363.45 g/mol
LogP3.58
Rot. Bonds4

About 5-benzyl-1-methyl-N-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrazole-4-carboxamide

5-benzyl-1-methyl-N-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrazole-4-carboxamide (PubChem CID 167854994) has the molecular formula C19H17N5OS and a molecular weight of 363.45 g/mol. Its IUPAC name is 5-benzyl-1-methyl-N-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-benzyl-1-methyl-N-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrazole-4-carboxamide
PubChem CID167854994
Molecular FormulaC19H17N5OS
Molecular Weight363.45 g/mol
Exact Mass363.12
IUPAC Name5-benzyl-1-methyl-N-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrazole-4-carboxamide
SMILESCc1ccc2nc(NC(=O)c3cnn(C)c3Cc3ccccc3)sc2n1
InChIInChI=1S/C19H17N5OS/c1-12-8-9-15-18(21-12)26-19(22-15)23-17(25)14-11-20-24(2)16(14)10-13-6-4-3-5-7-13/h3-9,11H,10H2,1-2H3,(H,22,23,25)
InChIKeyFBBKGKCUSASGBS-UHFFFAOYSA-N
XLogP3.58
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-1-methyl-N-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrazole-4-carboxamide?
The IUPAC name of 5-benzyl-1-methyl-N-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrazole-4-carboxamide (CID 167854994) is 5-benzyl-1-methyl-N-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-benzyl-1-methyl-N-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for 5-benzyl-1-methyl-N-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrazole-4-carboxamide is Cc1ccc2nc(NC(=O)c3cnn(C)c3Cc3ccccc3)sc2n1.
What is the InChIKey of 5-benzyl-1-methyl-N-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrazole-4-carboxamide?
The InChIKey is FBBKGKCUSASGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5OS/c1-12-8-9-15-18(21-12)26-19(22-15)23-17(25)14-11-20-24(2)16(14)10-13-6-4-3-5-7-13/h3-9,11H,10H2,1-2H3,(H,22,23,25).
What are the key properties of 5-benzyl-1-methyl-N-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrazole-4-carboxamide?
5-benzyl-1-methyl-N-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrazole-4-carboxamide has a molecular weight of 363.45 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-1-methyl-N-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 167854994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).