4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methyl-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide

C22H19ClF2N6OS — CID 90383337

IUPAC4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methyl-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide
SMILESCn1ncc(-c2nc(C(F)F)c(Cl)s2)c1C(=O)NC1CCn2cc(-c3ccccc3)nc2C1
InChIInChI=1S/C22H19ClF2N6OS/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/h2-6,10-11,13,20H,7-9H2,1H3,(H,27,32)
InChIKeyRPMJGFJOACSNOT-UHFFFAOYSA-N
MW488.95 g/mol
LogP4.74
Rot. Bonds5

About 4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methyl-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide

4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methyl-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide (PubChem CID 90383337) has the molecular formula C22H19ClF2N6OS and a molecular weight of 488.95 g/mol. Its IUPAC name is 4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methyl-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[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-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide
PubChem CID90383337
Molecular FormulaC22H19ClF2N6OS
Molecular Weight488.95 g/mol
Exact Mass488.10
IUPAC Name4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methyl-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide
SMILESCn1ncc(-c2nc(C(F)F)c(Cl)s2)c1C(=O)NC1CCn2cc(-c3ccccc3)nc2C1
InChIInChI=1S/C22H19ClF2N6OS/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/h2-6,10-11,13,20H,7-9H2,1H3,(H,27,32)
InChIKeyRPMJGFJOACSNOT-UHFFFAOYSA-N
XLogP4.74
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.95
LogP ≤ 54.74
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-phenyl-5,6,7,8-tetrahydroimidazo[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-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide (CID 90383337) is 4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methyl-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[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-phenyl-5,6,7,8-tetrahydroimidazo[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-phenyl-5,6,7,8-tetrahydroimidazo[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-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide?
The InChIKey is RPMJGFJOACSNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClF2N6OS/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/h2-6,10-11,13,20H,7-9H2,1H3,(H,27,32).
What are the key properties of 4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methyl-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide?
4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methyl-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide has a molecular weight of 488.95 g/mol, XLogP of 4.74, 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-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 90383337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).