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

C22H19F3N6OS — CID 90383340

IUPAC1-methyl-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide
SMILESCn1ncc(-c2nc(C(F)(F)F)cs2)c1C(=O)NC1CCn2cc(-c3ccccc3)nc2C1
InChIInChI=1S/C22H19F3N6OS/c1-30-19(15(10-26-30)21-29-17(12-33-21)22(23,24)25)20(32)27-14-7-8-31-11-16(28-18(31)9-14)13-5-3-2-4-6-13/h2-6,10-12,14H,7-9H2,1H3,(H,27,32)
InChIKeyOKPSUEGBVYLVJN-UHFFFAOYSA-N
MW472.50 g/mol
LogP4.17
Rot. Bonds4

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

1-methyl-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide (PubChem CID 90383340) has the molecular formula C22H19F3N6OS and a molecular weight of 472.50 g/mol. Its IUPAC name is 1-methyl-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide
PubChem CID90383340
Molecular FormulaC22H19F3N6OS
Molecular Weight472.50 g/mol
Exact Mass472.13
IUPAC Name1-methyl-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide
SMILESCn1ncc(-c2nc(C(F)(F)F)cs2)c1C(=O)NC1CCn2cc(-c3ccccc3)nc2C1
InChIInChI=1S/C22H19F3N6OS/c1-30-19(15(10-26-30)21-29-17(12-33-21)22(23,24)25)20(32)27-14-7-8-31-11-16(28-18(31)9-14)13-5-3-2-4-6-13/h2-6,10-12,14H,7-9H2,1H3,(H,27,32)
InChIKeyOKPSUEGBVYLVJN-UHFFFAOYSA-N
XLogP4.17
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.50
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide (CID 90383340) is 1-methyl-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide is Cn1ncc(-c2nc(C(F)(F)F)cs2)c1C(=O)NC1CCn2cc(-c3ccccc3)nc2C1.
What is the InChIKey of 1-methyl-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide?
The InChIKey is OKPSUEGBVYLVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N6OS/c1-30-19(15(10-26-30)21-29-17(12-33-21)22(23,24)25)20(32)27-14-7-8-31-11-16(28-18(31)9-14)13-5-3-2-4-6-13/h2-6,10-12,14H,7-9H2,1H3,(H,27,32).
What are the key properties of 1-methyl-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide?
1-methyl-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide has a molecular weight of 472.50 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide is sourced from PubChem (CID 90383340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).