4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide

C22H19F3N6OS — CID 90383087

IUPAC4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(-c2nc(C(F)F)cs2)c1C(=O)NC1CCn2cc(-c3ccc(F)cc3)nc2C1
InChIInChI=1S/C22H19F3N6OS/c1-30-19(15(9-26-30)22-29-17(11-33-22)20(24)25)21(32)27-14-6-7-31-10-16(28-18(31)8-14)12-2-4-13(23)5-3-12/h2-5,9-11,14,20H,6-8H2,1H3,(H,27,32)
InChIKeyGMAIJTPVHQNPES-UHFFFAOYSA-N
MW472.50 g/mol
LogP4.23
Rot. Bonds5

About 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide

4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide (PubChem CID 90383087) has the molecular formula C22H19F3N6OS and a molecular weight of 472.50 g/mol. Its IUPAC name is 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
PubChem CID90383087
Molecular FormulaC22H19F3N6OS
Molecular Weight472.50 g/mol
Exact Mass472.13
IUPAC Name4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(-c2nc(C(F)F)cs2)c1C(=O)NC1CCn2cc(-c3ccc(F)cc3)nc2C1
InChIInChI=1S/C22H19F3N6OS/c1-30-19(15(9-26-30)22-29-17(11-33-22)20(24)25)21(32)27-14-6-7-31-10-16(28-18(31)8-14)12-2-4-13(23)5-3-12/h2-5,9-11,14,20H,6-8H2,1H3,(H,27,32)
InChIKeyGMAIJTPVHQNPES-UHFFFAOYSA-N
XLogP4.23
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.50
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide (CID 90383087) is 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide is Cn1ncc(-c2nc(C(F)F)cs2)c1C(=O)NC1CCn2cc(-c3ccc(F)cc3)nc2C1.
What is the InChIKey of 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide?
The InChIKey is GMAIJTPVHQNPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N6OS/c1-30-19(15(9-26-30)22-29-17(11-33-22)20(24)25)21(32)27-14-6-7-31-10-16(28-18(31)8-14)12-2-4-13(23)5-3-12/h2-5,9-11,14,20H,6-8H2,1H3,(H,27,32).
What are the key properties of 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide?
4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide has a molecular weight of 472.50 g/mol, XLogP of 4.23, 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]-N-[2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 90383087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).