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

C22H15ClF2N6OS — CID 78322643

IUPAC4-[5-chloro-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)c(Cl)s2)c1C(=O)Nc1ccn2cc(-c3ccccc3)nc2c1
InChIInChI=1S/C22H15ClF2N6OS/c1-30-18(14(10-26-30)22-29-17(20(24)25)19(23)33-22)21(32)27-13-7-8-31-11-15(28-16(31)9-13)12-5-3-2-4-6-12/h2-11,20H,1H3,(H,27,32)
InChIKeyHDNSMVOOUSOMNV-UHFFFAOYSA-N
MW484.92 g/mol
LogP5.70
Rot. Bonds5

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

4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methyl-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide (PubChem CID 78322643) has the molecular formula C22H15ClF2N6OS and a molecular weight of 484.92 g/mol. Its IUPAC name is 4-[5-chloro-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-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methyl-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide
PubChem CID78322643
Molecular FormulaC22H15ClF2N6OS
Molecular Weight484.92 g/mol
Exact Mass484.07
IUPAC Name4-[5-chloro-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)c(Cl)s2)c1C(=O)Nc1ccn2cc(-c3ccccc3)nc2c1
InChIInChI=1S/C22H15ClF2N6OS/c1-30-18(14(10-26-30)22-29-17(20(24)25)19(23)33-22)21(32)27-13-7-8-31-11-15(28-16(31)9-13)12-5-3-2-4-6-12/h2-11,20H,1H3,(H,27,32)
InChIKeyHDNSMVOOUSOMNV-UHFFFAOYSA-N
XLogP5.70
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.92
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[5-chloro-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-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methyl-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide (CID 78322643) is 4-[5-chloro-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-[5-chloro-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-[5-chloro-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)c(Cl)s2)c1C(=O)Nc1ccn2cc(-c3ccccc3)nc2c1.
What is the InChIKey of 4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methyl-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide?
The InChIKey is HDNSMVOOUSOMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClF2N6OS/c1-30-18(14(10-26-30)22-29-17(20(24)25)19(23)33-22)21(32)27-13-7-8-31-11-15(28-16(31)9-13)12-5-3-2-4-6-12/h2-11,20H,1H3,(H,27,32).
What are the key properties of 4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methyl-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide?
4-[5-chloro-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 484.92 g/mol, XLogP of 5.70, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-chloro-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 78322643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).