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

C22H18F4N6OS — CID 90383183

IUPACN-(3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide
SMILESCn1ncc(-c2nc(C(F)(F)F)cs2)c1C(=O)NC1CCn2c(nc(-c3ccccc3)c2F)C1
InChIInChI=1S/C22H18F4N6OS/c1-31-18(14(10-27-31)21-29-15(11-34-21)22(24,25)26)20(33)28-13-7-8-32-16(9-13)30-17(19(32)23)12-5-3-2-4-6-12/h2-6,10-11,13H,7-9H2,1H3,(H,28,33)
InChIKeyRPWLAQVDJBUKMQ-UHFFFAOYSA-N
MW490.49 g/mol
LogP4.31
Rot. Bonds4

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

N-(3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide (PubChem CID 90383183) has the molecular formula C22H18F4N6OS and a molecular weight of 490.49 g/mol. Its IUPAC name is N-(3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide
PubChem CID90383183
Molecular FormulaC22H18F4N6OS
Molecular Weight490.49 g/mol
Exact Mass490.12
IUPAC NameN-(3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide
SMILESCn1ncc(-c2nc(C(F)(F)F)cs2)c1C(=O)NC1CCn2c(nc(-c3ccccc3)c2F)C1
InChIInChI=1S/C22H18F4N6OS/c1-31-18(14(10-27-31)21-29-15(11-34-21)22(24,25)26)20(33)28-13-7-8-32-16(9-13)30-17(19(32)23)12-5-3-2-4-6-12/h2-6,10-11,13H,7-9H2,1H3,(H,28,33)
InChIKeyRPWLAQVDJBUKMQ-UHFFFAOYSA-N
XLogP4.31
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.49
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

1-[(2R)-4-[4-(1H-benzimidazol-2-yl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]-2-methylpiperazin-1-yl]-2-[4-[(dimethylamino)methyl]-3-methylpyrazol-1-yl]ethanone
CID 117739228
1-[(2R)-4-[4-(1H-benzimidazol-2-yl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]-2-methylpiperazin-1-yl]-2-pyrazol-1-ylethanone
CID 117740035
4-N-[(4-cyano-1,3-thiazol-2-yl)methyl]-1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
CID 53469617
4-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
CID 53469619
1-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
CID 53469815
5-(5-ethylthiophen-2-yl)-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 999629
5-(5-ethyl-2-thienyl)-N-[1-(4-methylbenzyl)-1H-pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1000253
1-[(2R)-4-[4-(1H-benzimidazol-2-yl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]-2-methylpiperazin-1-yl]-2-[4-(1-methylpiperidin-4-yl)pyrazol-1-yl]ethanone
CID 89726091
1-[(2R)-2-methyl-4-[4-(1-methylbenzimidazol-2-yl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-pyrazol-1-ylethanone
CID 89726171
N-(6-(4-(4-fluorophenyl)-1-(1-(3,3,3-trifluoropropyl) piperidin-4-yl)-1H-imidazol-5-yl)imidazo [1,2-b]pyridazin-2-yl)-4-methyl-2-(pyridin-3-yl)thiazole-5-carboxamide
CID 76282082
N-(6-(1-(1-(2-amino-2-oxoethyl)piperidin-4-yl)-4-(4-fluorophenyl)-1H-imidazol-5-yl)imidazo[1,2-b] pyridazin-2-yl)-4-methyl-2-(pyridin-3-yl) thiazole-5-carboxamide
CID 76282083
N-(6-(4-(4-fluorophenyl)-1-(1-(3,3,3-trifluoropropanoyl) piperidin-4-yl)-1H-imidazol-5-yl)imidazo [1,2-b]pyridazin-2-yl)-4-methyl-2-(pyridin-3-yl)thiazole-5-carboxamide
CID 76282084

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide?
The IUPAC name of N-(3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide (CID 90383183) is N-(3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide.
What is the SMILES notation for N-(3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide?
The canonical SMILES for N-(3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide is Cn1ncc(-c2nc(C(F)(F)F)cs2)c1C(=O)NC1CCn2c(nc(-c3ccccc3)c2F)C1.
What is the InChIKey of N-(3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide?
The InChIKey is RPWLAQVDJBUKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F4N6OS/c1-31-18(14(10-27-31)21-29-15(11-34-21)22(24,25)26)20(33)28-13-7-8-32-16(9-13)30-17(19(32)23)12-5-3-2-4-6-12/h2-6,10-11,13H,7-9H2,1H3,(H,28,33).
What are the key properties of N-(3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide?
N-(3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide has a molecular weight of 490.49 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide is sourced from PubChem (CID 90383183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).