2,2-dimethyl-3-phenyl-3-(1-pyridin-3-ylindazol-5-yl)-N-(1,3-thiazol-2-yl)propanamide

C26H23N5OS — CID 24937243

IUPAC2,2-dimethyl-3-phenyl-3-(1-pyridin-3-ylindazol-5-yl)-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(C)(C(=O)Nc1nccs1)C(c1ccccc1)c1ccc2c(cnn2-c2cccnc2)c1
InChIInChI=1S/C26H23N5OS/c1-26(2,24(32)30-25-28-13-14-33-25)23(18-7-4-3-5-8-18)19-10-11-22-20(15-19)16-29-31(22)21-9-6-12-27-17-21/h3-17,23H,1-2H3,(H,28,30,32)
InChIKeyPNEAZKFKCOAMBA-UHFFFAOYSA-N
MW453.57 g/mol
LogP5.67
Rot. Bonds6

About 2,2-dimethyl-3-phenyl-3-(1-pyridin-3-ylindazol-5-yl)-N-(1,3-thiazol-2-yl)propanamide

2,2-dimethyl-3-phenyl-3-(1-pyridin-3-ylindazol-5-yl)-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 24937243) has the molecular formula C26H23N5OS and a molecular weight of 453.57 g/mol. Its IUPAC name is 2,2-dimethyl-3-phenyl-3-(1-pyridin-3-ylindazol-5-yl)-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-3-phenyl-3-(1-pyridin-3-ylindazol-5-yl)-N-(1,3-thiazol-2-yl)propanamide
PubChem CID24937243
Molecular FormulaC26H23N5OS
Molecular Weight453.57 g/mol
Exact Mass453.16
IUPAC Name2,2-dimethyl-3-phenyl-3-(1-pyridin-3-ylindazol-5-yl)-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(C)(C(=O)Nc1nccs1)C(c1ccccc1)c1ccc2c(cnn2-c2cccnc2)c1
InChIInChI=1S/C26H23N5OS/c1-26(2,24(32)30-25-28-13-14-33-25)23(18-7-4-3-5-8-18)19-10-11-22-20(15-19)16-29-31(22)21-9-6-12-27-17-21/h3-17,23H,1-2H3,(H,28,30,32)
InChIKeyPNEAZKFKCOAMBA-UHFFFAOYSA-N
XLogP5.67
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.57
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2,2-dimethyl-3-phenyl-3-(1-pyridin-3-ylindazol-5-yl)-N-(1,3-thiazol-2-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-phenyl-3-(1-pyridin-3-ylindazol-5-yl)-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2,2-dimethyl-3-phenyl-3-(1-pyridin-3-ylindazol-5-yl)-N-(1,3-thiazol-2-yl)propanamide (CID 24937243) is 2,2-dimethyl-3-phenyl-3-(1-pyridin-3-ylindazol-5-yl)-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2,2-dimethyl-3-phenyl-3-(1-pyridin-3-ylindazol-5-yl)-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2,2-dimethyl-3-phenyl-3-(1-pyridin-3-ylindazol-5-yl)-N-(1,3-thiazol-2-yl)propanamide is CC(C)(C(=O)Nc1nccs1)C(c1ccccc1)c1ccc2c(cnn2-c2cccnc2)c1.
What is the InChIKey of 2,2-dimethyl-3-phenyl-3-(1-pyridin-3-ylindazol-5-yl)-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is PNEAZKFKCOAMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5OS/c1-26(2,24(32)30-25-28-13-14-33-25)23(18-7-4-3-5-8-18)19-10-11-22-20(15-19)16-29-31(22)21-9-6-12-27-17-21/h3-17,23H,1-2H3,(H,28,30,32).
What are the key properties of 2,2-dimethyl-3-phenyl-3-(1-pyridin-3-ylindazol-5-yl)-N-(1,3-thiazol-2-yl)propanamide?
2,2-dimethyl-3-phenyl-3-(1-pyridin-3-ylindazol-5-yl)-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 453.57 g/mol, XLogP of 5.67, 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-(1-pyridin-3-ylindazol-5-yl)-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 24937243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).