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

C27H22F2N4OS — CID 24955148

IUPAC3-[1-(2,4-difluorophenyl)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)cc3F)ncn2c1
InChIInChI=1S/C27H22F2N4OS/c1-27(2,25(34)32-26-30-12-13-35-26)23(17-6-4-3-5-7-17)18-8-11-22-24(31-16-33(22)15-18)20-10-9-19(28)14-21(20)29/h3-16,23H,1-2H3,(H,30,32,34)
InChIKeyGTYXHAGJASYCHD-UHFFFAOYSA-N
MW488.56 g/mol
LogP6.53
Rot. Bonds6

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

3-[1-(2,4-difluorophenyl)imidazo[1,5-a]pyridin-6-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 24955148) has the molecular formula C27H22F2N4OS and a molecular weight of 488.56 g/mol. Its IUPAC name is 3-[1-(2,4-difluorophenyl)imidazo[1,5-a]pyridin-6-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-[1-(2,4-difluorophenyl)imidazo[1,5-a]pyridin-6-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
PubChem CID24955148
Molecular FormulaC27H22F2N4OS
Molecular Weight488.56 g/mol
Exact Mass488.15
IUPAC Name3-[1-(2,4-difluorophenyl)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)cc3F)ncn2c1
InChIInChI=1S/C27H22F2N4OS/c1-27(2,25(34)32-26-30-12-13-35-26)23(17-6-4-3-5-7-17)18-8-11-22-24(31-16-33(22)15-18)20-10-9-19(28)14-21(20)29/h3-16,23H,1-2H3,(H,30,32,34)
InChIKeyGTYXHAGJASYCHD-UHFFFAOYSA-N
XLogP6.53
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.56
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,4-difluorophenyl)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-(2,4-difluorophenyl)imidazo[1,5-a]pyridin-6-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide (CID 24955148) is 3-[1-(2,4-difluorophenyl)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-(2,4-difluorophenyl)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-(2,4-difluorophenyl)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)cc3F)ncn2c1.
What is the InChIKey of 3-[1-(2,4-difluorophenyl)imidazo[1,5-a]pyridin-6-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is GTYXHAGJASYCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22F2N4OS/c1-27(2,25(34)32-26-30-12-13-35-26)23(17-6-4-3-5-7-17)18-8-11-22-24(31-16-33(22)15-18)20-10-9-19(28)14-21(20)29/h3-16,23H,1-2H3,(H,30,32,34).
What are the key properties of 3-[1-(2,4-difluorophenyl)imidazo[1,5-a]pyridin-6-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide?
3-[1-(2,4-difluorophenyl)imidazo[1,5-a]pyridin-6-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 488.56 g/mol, XLogP of 6.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,4-difluorophenyl)imidazo[1,5-a]pyridin-6-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 24955148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).