3-[1-(3-chloro-4-fluorophenyl)imidazo[1,5-a]pyridin-6-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide

C27H22ClFN4OS — CID 24955150

IUPAC3-[1-(3-chloro-4-fluorophenyl)imidazo[1,5-a]pyridin-6-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(C)(C(=O)Nc1nccs1)C(c1ccccc1)c1ccc2c(-c3ccc(F)c(Cl)c3)ncn2c1
InChIInChI=1S/C27H22ClFN4OS/c1-27(2,25(34)32-26-30-12-13-35-26)23(17-6-4-3-5-7-17)19-9-11-22-24(31-16-33(22)15-19)18-8-10-21(29)20(28)14-18/h3-16,23H,1-2H3,(H,30,32,34)
InChIKeyVCELWHFCXPYFQZ-UHFFFAOYSA-N
MW505.02 g/mol
LogP7.05
Rot. Bonds6

About 3-[1-(3-chloro-4-fluorophenyl)imidazo[1,5-a]pyridin-6-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide

3-[1-(3-chloro-4-fluorophenyl)imidazo[1,5-a]pyridin-6-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 24955150) has the molecular formula C27H22ClFN4OS and a molecular weight of 505.02 g/mol. Its IUPAC name is 3-[1-(3-chloro-4-fluorophenyl)imidazo[1,5-a]pyridin-6-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-[1-(3-chloro-4-fluorophenyl)imidazo[1,5-a]pyridin-6-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
PubChem CID24955150
Molecular FormulaC27H22ClFN4OS
Molecular Weight505.02 g/mol
Exact Mass504.12
IUPAC Name3-[1-(3-chloro-4-fluorophenyl)imidazo[1,5-a]pyridin-6-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(C)(C(=O)Nc1nccs1)C(c1ccccc1)c1ccc2c(-c3ccc(F)c(Cl)c3)ncn2c1
InChIInChI=1S/C27H22ClFN4OS/c1-27(2,25(34)32-26-30-12-13-35-26)23(17-6-4-3-5-7-17)19-9-11-22-24(31-16-33(22)15-19)18-8-10-21(29)20(28)14-18/h3-16,23H,1-2H3,(H,30,32,34)
InChIKeyVCELWHFCXPYFQZ-UHFFFAOYSA-N
XLogP7.05
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.02
LogP ≤ 57.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-6-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 24789150
3-[1-(2,4-difluorophenyl)imidazo[1,5-a]pyridin-6-yl]-2,2-dimethyl-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 24955149
3-imidazo[1,5-a]pyridin-6-yl-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 24954066
3-[1-(3-cyanophenyl)imidazo[1,5-a]pyridin-6-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 24954421
3-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-6-yl]-2,2-dimethyl-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 24954791
3-[1-(4-cyanophenyl)imidazo[1,5-a]pyridin-6-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 24954793
3-[1-(2,4-difluorophenyl)imidazo[1,5-a]pyridin-6-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 24955148
3-[1-(3-chloro-4-fluorophenyl)imidazo[1,5-a]pyridin-6-yl]-2,2-dimethyl-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 24955151
3-(1-(4-fluorophenyl)-1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(thiazol-2-yl)propanamide
CID 59252882
3-imidazo[1,5-a]pyridin-7-yl-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 59419621
2,2-dimethyl-3-phenyl-3-(3-phenylimidazo[1,5-a]pyridin-7-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 59419641
N-(1,3-Benzothiazol-2-YL)-2-({1-[(4-chlorophenyl)methyl]-1H-imidazol-2-YL}sulfanyl)acetamide
CID 7151077

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-chloro-4-fluorophenyl)imidazo[1,5-a]pyridin-6-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-[1-(3-chloro-4-fluorophenyl)imidazo[1,5-a]pyridin-6-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide (CID 24955150) is 3-[1-(3-chloro-4-fluorophenyl)imidazo[1,5-a]pyridin-6-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-[1-(3-chloro-4-fluorophenyl)imidazo[1,5-a]pyridin-6-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-[1-(3-chloro-4-fluorophenyl)imidazo[1,5-a]pyridin-6-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide is CC(C)(C(=O)Nc1nccs1)C(c1ccccc1)c1ccc2c(-c3ccc(F)c(Cl)c3)ncn2c1.
What is the InChIKey of 3-[1-(3-chloro-4-fluorophenyl)imidazo[1,5-a]pyridin-6-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is VCELWHFCXPYFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22ClFN4OS/c1-27(2,25(34)32-26-30-12-13-35-26)23(17-6-4-3-5-7-17)19-9-11-22-24(31-16-33(22)15-19)18-8-10-21(29)20(28)14-18/h3-16,23H,1-2H3,(H,30,32,34).
What are the key properties of 3-[1-(3-chloro-4-fluorophenyl)imidazo[1,5-a]pyridin-6-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide?
3-[1-(3-chloro-4-fluorophenyl)imidazo[1,5-a]pyridin-6-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 505.02 g/mol, XLogP of 7.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-chloro-4-fluorophenyl)imidazo[1,5-a]pyridin-6-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 24955150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).