3-(2,5-dimethoxyphenyl)-N-[2-methoxy-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1-methylpyrazole-5-carboxamide

C28H27N5O4 — CID 122322901

IUPAC3-(2,5-dimethoxyphenyl)-N-[2-methoxy-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1-methylpyrazole-5-carboxamide
SMILESCOc1ccc(OC)c(-c2cc(C(=O)Nc3cc(-c4cn5ccc(C)cc5n4)ccc3OC)n(C)n2)c1
InChIInChI=1S/C28H27N5O4/c1-17-10-11-33-16-23(29-27(33)12-17)18-6-8-26(37-5)22(13-18)30-28(34)24-15-21(31-32(24)2)20-14-19(35-3)7-9-25(20)36-4/h6-16H,1-5H3,(H,30,34)
InChIKeyUBIFDRGTOAAYFJ-UHFFFAOYSA-N
MW497.56 g/mol
LogP4.99
Rot. Bonds7

About 3-(2,5-dimethoxyphenyl)-N-[2-methoxy-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1-methylpyrazole-5-carboxamide

3-(2,5-dimethoxyphenyl)-N-[2-methoxy-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1-methylpyrazole-5-carboxamide (PubChem CID 122322901) has the molecular formula C28H27N5O4 and a molecular weight of 497.56 g/mol. Its IUPAC name is 3-(2,5-dimethoxyphenyl)-N-[2-methoxy-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2,5-dimethoxyphenyl)-N-[2-methoxy-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1-methylpyrazole-5-carboxamide
PubChem CID122322901
Molecular FormulaC28H27N5O4
Molecular Weight497.56 g/mol
Exact Mass497.21
IUPAC Name3-(2,5-dimethoxyphenyl)-N-[2-methoxy-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1-methylpyrazole-5-carboxamide
SMILESCOc1ccc(OC)c(-c2cc(C(=O)Nc3cc(-c4cn5ccc(C)cc5n4)ccc3OC)n(C)n2)c1
InChIInChI=1S/C28H27N5O4/c1-17-10-11-33-16-23(29-27(33)12-17)18-6-8-26(37-5)22(13-18)30-28(34)24-15-21(31-32(24)2)20-14-19(35-3)7-9-25(20)36-4/h6-16H,1-5H3,(H,30,34)
InChIKeyUBIFDRGTOAAYFJ-UHFFFAOYSA-N
XLogP4.99
TPSA91.91 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.56
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-(2,5-dimethoxyphenyl)-N-[2-methoxy-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1-methylpyrazole-5-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 3-(2,5-dimethoxyphenyl)-N-[2-methoxy-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 3-(2,5-dimethoxyphenyl)-N-[2-methoxy-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1-methylpyrazole-5-carboxamide (CID 122322901) is 3-(2,5-dimethoxyphenyl)-N-[2-methoxy-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 3-(2,5-dimethoxyphenyl)-N-[2-methoxy-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 3-(2,5-dimethoxyphenyl)-N-[2-methoxy-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1-methylpyrazole-5-carboxamide is COc1ccc(OC)c(-c2cc(C(=O)Nc3cc(-c4cn5ccc(C)cc5n4)ccc3OC)n(C)n2)c1.
What is the InChIKey of 3-(2,5-dimethoxyphenyl)-N-[2-methoxy-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1-methylpyrazole-5-carboxamide?
The InChIKey is UBIFDRGTOAAYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O4/c1-17-10-11-33-16-23(29-27(33)12-17)18-6-8-26(37-5)22(13-18)30-28(34)24-15-21(31-32(24)2)20-14-19(35-3)7-9-25(20)36-4/h6-16H,1-5H3,(H,30,34).
What are the key properties of 3-(2,5-dimethoxyphenyl)-N-[2-methoxy-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1-methylpyrazole-5-carboxamide?
3-(2,5-dimethoxyphenyl)-N-[2-methoxy-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1-methylpyrazole-5-carboxamide has a molecular weight of 497.56 g/mol, XLogP of 4.99, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxyphenyl)-N-[2-methoxy-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 122322901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).