2,2-dimethyl-3-phenyl-3-(3-phenylimidazo[1,5-a]pyridin-7-yl)-N-(1,3-thiazol-2-yl)propanamide

C27H24N4OS — CID 59419641

IUPAC2,2-dimethyl-3-phenyl-3-(3-phenylimidazo[1,5-a]pyridin-7-yl)-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(C)(C(=O)Nc1nccs1)C(c1ccccc1)c1ccn2c(-c3ccccc3)ncc2c1
InChIInChI=1S/C27H24N4OS/c1-27(2,25(32)30-26-28-14-16-33-26)23(19-9-5-3-6-10-19)21-13-15-31-22(17-21)18-29-24(31)20-11-7-4-8-12-20/h3-18,23H,1-2H3,(H,28,30,32)
InChIKeySIKSRCPHXDTHHB-UHFFFAOYSA-N
MW452.58 g/mol
LogP6.25
Rot. Bonds6

About 2,2-dimethyl-3-phenyl-3-(3-phenylimidazo[1,5-a]pyridin-7-yl)-N-(1,3-thiazol-2-yl)propanamide

2,2-dimethyl-3-phenyl-3-(3-phenylimidazo[1,5-a]pyridin-7-yl)-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 59419641) has the molecular formula C27H24N4OS and a molecular weight of 452.58 g/mol. Its IUPAC name is 2,2-dimethyl-3-phenyl-3-(3-phenylimidazo[1,5-a]pyridin-7-yl)-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-3-phenyl-3-(3-phenylimidazo[1,5-a]pyridin-7-yl)-N-(1,3-thiazol-2-yl)propanamide
PubChem CID59419641
Molecular FormulaC27H24N4OS
Molecular Weight452.58 g/mol
Exact Mass452.17
IUPAC Name2,2-dimethyl-3-phenyl-3-(3-phenylimidazo[1,5-a]pyridin-7-yl)-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(C)(C(=O)Nc1nccs1)C(c1ccccc1)c1ccn2c(-c3ccccc3)ncc2c1
InChIInChI=1S/C27H24N4OS/c1-27(2,25(32)30-26-28-14-16-33-26)23(19-9-5-3-6-10-19)21-13-15-31-22(17-21)18-29-24(31)20-11-7-4-8-12-20/h3-18,23H,1-2H3,(H,28,30,32)
InChIKeySIKSRCPHXDTHHB-UHFFFAOYSA-N
XLogP6.25
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.58
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-phenyl-3-(3-phenylimidazo[1,5-a]pyridin-7-yl)-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2,2-dimethyl-3-phenyl-3-(3-phenylimidazo[1,5-a]pyridin-7-yl)-N-(1,3-thiazol-2-yl)propanamide (CID 59419641) is 2,2-dimethyl-3-phenyl-3-(3-phenylimidazo[1,5-a]pyridin-7-yl)-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2,2-dimethyl-3-phenyl-3-(3-phenylimidazo[1,5-a]pyridin-7-yl)-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2,2-dimethyl-3-phenyl-3-(3-phenylimidazo[1,5-a]pyridin-7-yl)-N-(1,3-thiazol-2-yl)propanamide is CC(C)(C(=O)Nc1nccs1)C(c1ccccc1)c1ccn2c(-c3ccccc3)ncc2c1.
What is the InChIKey of 2,2-dimethyl-3-phenyl-3-(3-phenylimidazo[1,5-a]pyridin-7-yl)-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is SIKSRCPHXDTHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4OS/c1-27(2,25(32)30-26-28-14-16-33-26)23(19-9-5-3-6-10-19)21-13-15-31-22(17-21)18-29-24(31)20-11-7-4-8-12-20/h3-18,23H,1-2H3,(H,28,30,32).
What are the key properties of 2,2-dimethyl-3-phenyl-3-(3-phenylimidazo[1,5-a]pyridin-7-yl)-N-(1,3-thiazol-2-yl)propanamide?
2,2-dimethyl-3-phenyl-3-(3-phenylimidazo[1,5-a]pyridin-7-yl)-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 452.58 g/mol, XLogP of 6.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-phenyl-3-(3-phenylimidazo[1,5-a]pyridin-7-yl)-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 59419641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).