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

C22H16F2N6OS — CID 78322329

IUPAC4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methyl-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide
SMILESCn1ncc(-c2nc(C(F)F)cs2)c1C(=O)Nc1ccn2cc(-c3ccccc3)nc2c1
InChIInChI=1S/C22H16F2N6OS/c1-29-19(15(10-25-29)22-28-17(12-32-22)20(23)24)21(31)26-14-7-8-30-11-16(27-18(30)9-14)13-5-3-2-4-6-13/h2-12,20H,1H3,(H,26,31)
InChIKeyGEQTUGZQFNJYTA-UHFFFAOYSA-N
MW450.47 g/mol
LogP5.05
Rot. Bonds5

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

4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methyl-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide (PubChem CID 78322329) has the molecular formula C22H16F2N6OS and a molecular weight of 450.47 g/mol. Its IUPAC name is 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methyl-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methyl-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide
PubChem CID78322329
Molecular FormulaC22H16F2N6OS
Molecular Weight450.47 g/mol
Exact Mass450.11
IUPAC Name4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methyl-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide
SMILESCn1ncc(-c2nc(C(F)F)cs2)c1C(=O)Nc1ccn2cc(-c3ccccc3)nc2c1
InChIInChI=1S/C22H16F2N6OS/c1-29-19(15(10-25-29)22-28-17(12-32-22)20(23)24)21(31)26-14-7-8-30-11-16(27-18(30)9-14)13-5-3-2-4-6-13/h2-12,20H,1H3,(H,26,31)
InChIKeyGEQTUGZQFNJYTA-UHFFFAOYSA-N
XLogP5.05
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.47
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methyl-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide?
The IUPAC name of 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methyl-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide (CID 78322329) is 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methyl-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methyl-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide?
The canonical SMILES for 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methyl-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide is Cn1ncc(-c2nc(C(F)F)cs2)c1C(=O)Nc1ccn2cc(-c3ccccc3)nc2c1.
What is the InChIKey of 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methyl-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide?
The InChIKey is GEQTUGZQFNJYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N6OS/c1-29-19(15(10-25-29)22-28-17(12-32-22)20(23)24)21(31)26-14-7-8-30-11-16(27-18(30)9-14)13-5-3-2-4-6-13/h2-12,20H,1H3,(H,26,31).
What are the key properties of 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methyl-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide?
4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methyl-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide has a molecular weight of 450.47 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methyl-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 78322329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).