N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-5-hydroxy-1H-indole-2-carboxamide

C21H20N4O3 — CID 58408857

IUPACN-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-5-hydroxy-1H-indole-2-carboxamide
SMILESCC(C)(C)C(=O)c1cn2cc(NC(=O)c3cc4cc(O)ccc4[nH]3)ccc2n1
InChIInChI=1S/C21H20N4O3/c1-21(2,3)19(27)17-11-25-10-13(4-7-18(25)24-17)22-20(28)16-9-12-8-14(26)5-6-15(12)23-16/h4-11,23,26H,1-3H3,(H,22,28)
InChIKeyANSOJJOUUCOLTL-UHFFFAOYSA-N
MW376.42 g/mol
LogP4.00
Rot. Bonds3

About N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-5-hydroxy-1H-indole-2-carboxamide

N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-5-hydroxy-1H-indole-2-carboxamide (PubChem CID 58408857) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-5-hydroxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-5-hydroxy-1H-indole-2-carboxamide
PubChem CID58408857
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC NameN-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-5-hydroxy-1H-indole-2-carboxamide
SMILESCC(C)(C)C(=O)c1cn2cc(NC(=O)c3cc4cc(O)ccc4[nH]3)ccc2n1
InChIInChI=1S/C21H20N4O3/c1-21(2,3)19(27)17-11-25-10-13(4-7-18(25)24-17)22-20(28)16-9-12-8-14(26)5-6-15(12)23-16/h4-11,23,26H,1-3H3,(H,22,28)
InChIKeyANSOJJOUUCOLTL-UHFFFAOYSA-N
XLogP4.00
TPSA99.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-5-hydroxy-1H-indole-2-carboxamide 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 N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-5-hydroxy-1H-indole-2-carboxamide?
The IUPAC name of N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-5-hydroxy-1H-indole-2-carboxamide (CID 58408857) is N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-5-hydroxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-5-hydroxy-1H-indole-2-carboxamide?
The canonical SMILES for N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-5-hydroxy-1H-indole-2-carboxamide is CC(C)(C)C(=O)c1cn2cc(NC(=O)c3cc4cc(O)ccc4[nH]3)ccc2n1.
What is the InChIKey of N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-5-hydroxy-1H-indole-2-carboxamide?
The InChIKey is ANSOJJOUUCOLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-21(2,3)19(27)17-11-25-10-13(4-7-18(25)24-17)22-20(28)16-9-12-8-14(26)5-6-15(12)23-16/h4-11,23,26H,1-3H3,(H,22,28).
What are the key properties of N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-5-hydroxy-1H-indole-2-carboxamide?
N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-5-hydroxy-1H-indole-2-carboxamide has a molecular weight of 376.42 g/mol, XLogP of 4.00, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-5-hydroxy-1H-indole-2-carboxamide is sourced from PubChem (CID 58408857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).