1-methyl-4-(4-methyl-1,3-thiazol-2-yl)-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide

C22H18N6OS — CID 78322328

IUPAC1-methyl-4-(4-methyl-1,3-thiazol-2-yl)-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide
SMILESCc1csc(-c2cnn(C)c2C(=O)Nc2ccn3cc(-c4ccccc4)nc3c2)n1
InChIInChI=1S/C22H18N6OS/c1-14-13-30-22(24-14)17-11-23-27(2)20(17)21(29)25-16-8-9-28-12-18(26-19(28)10-16)15-6-4-3-5-7-15/h3-13H,1-2H3,(H,25,29)
InChIKeyLBMVILNVCYPKHP-UHFFFAOYSA-N
MW414.49 g/mol
LogP4.42
Rot. Bonds4

About 1-methyl-4-(4-methyl-1,3-thiazol-2-yl)-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide

1-methyl-4-(4-methyl-1,3-thiazol-2-yl)-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide (PubChem CID 78322328) has the molecular formula C22H18N6OS and a molecular weight of 414.49 g/mol. Its IUPAC name is 1-methyl-4-(4-methyl-1,3-thiazol-2-yl)-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-4-(4-methyl-1,3-thiazol-2-yl)-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide
PubChem CID78322328
Molecular FormulaC22H18N6OS
Molecular Weight414.49 g/mol
Exact Mass414.13
IUPAC Name1-methyl-4-(4-methyl-1,3-thiazol-2-yl)-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide
SMILESCc1csc(-c2cnn(C)c2C(=O)Nc2ccn3cc(-c4ccccc4)nc3c2)n1
InChIInChI=1S/C22H18N6OS/c1-14-13-30-22(24-14)17-11-23-27(2)20(17)21(29)25-16-8-9-28-12-18(26-19(28)10-16)15-6-4-3-5-7-15/h3-13H,1-2H3,(H,25,29)
InChIKeyLBMVILNVCYPKHP-UHFFFAOYSA-N
XLogP4.42
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-methyl-1,3-thiazol-2-yl)-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-4-(4-methyl-1,3-thiazol-2-yl)-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide (CID 78322328) is 1-methyl-4-(4-methyl-1,3-thiazol-2-yl)-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-4-(4-methyl-1,3-thiazol-2-yl)-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-4-(4-methyl-1,3-thiazol-2-yl)-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide is Cc1csc(-c2cnn(C)c2C(=O)Nc2ccn3cc(-c4ccccc4)nc3c2)n1.
What is the InChIKey of 1-methyl-4-(4-methyl-1,3-thiazol-2-yl)-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide?
The InChIKey is LBMVILNVCYPKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6OS/c1-14-13-30-22(24-14)17-11-23-27(2)20(17)21(29)25-16-8-9-28-12-18(26-19(28)10-16)15-6-4-3-5-7-15/h3-13H,1-2H3,(H,25,29).
What are the key properties of 1-methyl-4-(4-methyl-1,3-thiazol-2-yl)-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide?
1-methyl-4-(4-methyl-1,3-thiazol-2-yl)-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide has a molecular weight of 414.49 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-methyl-1,3-thiazol-2-yl)-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 78322328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).