2,2-dimethyl-3-phenyl-3-(3-phenylimidazo[1,5-a]pyridin-7-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide

C26H23N5OS — CID 24954062

IUPAC2,2-dimethyl-3-phenyl-3-(3-phenylimidazo[1,5-a]pyridin-7-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide
SMILESCC(C)(C(=O)Nc1nncs1)C(c1ccccc1)c1ccn2c(-c3ccccc3)ncc2c1
InChIInChI=1S/C26H23N5OS/c1-26(2,24(32)29-25-30-28-17-33-25)22(18-9-5-3-6-10-18)20-13-14-31-21(15-20)16-27-23(31)19-11-7-4-8-12-19/h3-17,22H,1-2H3,(H,29,30,32)
InChIKeyKGKFAHFHFYCFAE-UHFFFAOYSA-N
MW453.57 g/mol
LogP5.65
Rot. Bonds6

About 2,2-dimethyl-3-phenyl-3-(3-phenylimidazo[1,5-a]pyridin-7-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide

2,2-dimethyl-3-phenyl-3-(3-phenylimidazo[1,5-a]pyridin-7-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 24954062) has the molecular formula C26H23N5OS and a molecular weight of 453.57 g/mol. Its IUPAC name is 2,2-dimethyl-3-phenyl-3-(3-phenylimidazo[1,5-a]pyridin-7-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-3-phenyl-3-(3-phenylimidazo[1,5-a]pyridin-7-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide
PubChem CID24954062
Molecular FormulaC26H23N5OS
Molecular Weight453.57 g/mol
Exact Mass453.16
IUPAC Name2,2-dimethyl-3-phenyl-3-(3-phenylimidazo[1,5-a]pyridin-7-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide
SMILESCC(C)(C(=O)Nc1nncs1)C(c1ccccc1)c1ccn2c(-c3ccccc3)ncc2c1
InChIInChI=1S/C26H23N5OS/c1-26(2,24(32)29-25-30-28-17-33-25)22(18-9-5-3-6-10-18)20-13-14-31-21(15-20)16-27-23(31)19-11-7-4-8-12-19/h3-17,22H,1-2H3,(H,29,30,32)
InChIKeyKGKFAHFHFYCFAE-UHFFFAOYSA-N
XLogP5.65
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.57
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-(1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of 2,2-dimethyl-3-phenyl-3-(3-phenylimidazo[1,5-a]pyridin-7-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide (CID 24954062) is 2,2-dimethyl-3-phenyl-3-(3-phenylimidazo[1,5-a]pyridin-7-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for 2,2-dimethyl-3-phenyl-3-(3-phenylimidazo[1,5-a]pyridin-7-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for 2,2-dimethyl-3-phenyl-3-(3-phenylimidazo[1,5-a]pyridin-7-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide is CC(C)(C(=O)Nc1nncs1)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-(1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is KGKFAHFHFYCFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5OS/c1-26(2,24(32)29-25-30-28-17-33-25)22(18-9-5-3-6-10-18)20-13-14-31-21(15-20)16-27-23(31)19-11-7-4-8-12-19/h3-17,22H,1-2H3,(H,29,30,32).
What are the key properties of 2,2-dimethyl-3-phenyl-3-(3-phenylimidazo[1,5-a]pyridin-7-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide?
2,2-dimethyl-3-phenyl-3-(3-phenylimidazo[1,5-a]pyridin-7-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 453.57 g/mol, XLogP of 5.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 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-(1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 24954062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).