2-(7-chloroimidazo[1,5-a]pyridin-1-yl)-N-[(1E,3E)-1,4-diamino-4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]buta-1,3-dien-2-yl]acetamide;ethane

C26H30ClN7O2 — CID 165131182

IUPAC2-(7-chloroimidazo[1,5-a]pyridin-1-yl)-N-[(1E,3E)-1,4-diamino-4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]buta-1,3-dien-2-yl]acetamide;ethane
SMILESCC.N/C=C(\C=C(/N)OCc1cn2cc(C3CC3)ccc2n1)NC(=O)Cc1ncn2ccc(Cl)cc12
InChIInChI=1S/C24H24ClN7O2.C2H6/c25-17-5-6-31-14-28-20(21(31)7-17)9-24(33)30-18(10-26)8-22(27)34-13-19-12-32-11-16(15-1-2-15)3-4-23(32)29-19;1-2/h3-8,10-12,14-15H,1-2,9,13,26-27H2,(H,30,33);1-2H3/b18-10+,22-8+;
InChIKeyKEABXGZTKQENQA-FCBTUFPBSA-N
MW508.03 g/mol
LogP4.01
Rot. Bonds8

About 2-(7-chloroimidazo[1,5-a]pyridin-1-yl)-N-[(1E,3E)-1,4-diamino-4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]buta-1,3-dien-2-yl]acetamide;ethane

2-(7-chloroimidazo[1,5-a]pyridin-1-yl)-N-[(1E,3E)-1,4-diamino-4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]buta-1,3-dien-2-yl]acetamide;ethane (PubChem CID 165131182) has the molecular formula C26H30ClN7O2 and a molecular weight of 508.03 g/mol. Its IUPAC name is 2-(7-chloroimidazo[1,5-a]pyridin-1-yl)-N-[(1E,3E)-1,4-diamino-4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]buta-1,3-dien-2-yl]acetamide;ethane.

Molecular Properties

Compound Name2-(7-chloroimidazo[1,5-a]pyridin-1-yl)-N-[(1E,3E)-1,4-diamino-4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]buta-1,3-dien-2-yl]acetamide;ethane
PubChem CID165131182
Molecular FormulaC26H30ClN7O2
Molecular Weight508.03 g/mol
Exact Mass507.21
IUPAC Name2-(7-chloroimidazo[1,5-a]pyridin-1-yl)-N-[(1E,3E)-1,4-diamino-4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]buta-1,3-dien-2-yl]acetamide;ethane
SMILESCC.N/C=C(\C=C(/N)OCc1cn2cc(C3CC3)ccc2n1)NC(=O)Cc1ncn2ccc(Cl)cc12
InChIInChI=1S/C24H24ClN7O2.C2H6/c25-17-5-6-31-14-28-20(21(31)7-17)9-24(33)30-18(10-26)8-22(27)34-13-19-12-32-11-16(15-1-2-15)3-4-23(32)29-19;1-2/h3-8,10-12,14-15H,1-2,9,13,26-27H2,(H,30,33);1-2H3/b18-10+,22-8+;
InChIKeyKEABXGZTKQENQA-FCBTUFPBSA-N
XLogP4.01
TPSA124.97 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.03
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-(7-chloroimidazo[1,5-a]pyridin-1-yl)-N-[5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyridazin-3-yl]acetamide
CID 165130961
4-[[2-(7-chloroimidazo[1,5-a]pyridin-1-yl)acetyl]amino]-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidine-2-carboxylic acid
CID 165130846
2-(7-chloroimidazo[1,5-a]pyridin-1-yl)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-(trifluoromethyl)pyrimidin-4-yl]acetamide
CID 165131152
N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1-methyl-1,2,4-triazole-3-carboxamide
CID 139488001
N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,2-oxazole-3-carboxamide
CID 139488191
3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[2-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-thiazol-5-yl]propan-1-one
CID 153431054
3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]propane-1-thione
CID 159005925
(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl N-(6-chloropyrimidin-4-yl)carbamate
CID 175511413
N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-N-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-5-(oxetan-3-yl)-1H-pyrazole-4-carboxamide
CID 139490648
1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(7-ethylimidazo[1,5-a]pyridin-1-yl)methyl]pyrazole-4-carboxamide
CID 139488073
trans-(1S,2S)-2-(3-chlorophenyl)-N-[3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrazin-2-yl]cyclopropane-1-carboxamide
CID 165133259
ethyl 4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrimidine-2-carboxylate
CID 165130837

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloroimidazo[1,5-a]pyridin-1-yl)-N-[(1E,3E)-1,4-diamino-4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]buta-1,3-dien-2-yl]acetamide;ethane?
The IUPAC name of 2-(7-chloroimidazo[1,5-a]pyridin-1-yl)-N-[(1E,3E)-1,4-diamino-4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]buta-1,3-dien-2-yl]acetamide;ethane (CID 165131182) is 2-(7-chloroimidazo[1,5-a]pyridin-1-yl)-N-[(1E,3E)-1,4-diamino-4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]buta-1,3-dien-2-yl]acetamide;ethane.
What is the SMILES notation for 2-(7-chloroimidazo[1,5-a]pyridin-1-yl)-N-[(1E,3E)-1,4-diamino-4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]buta-1,3-dien-2-yl]acetamide;ethane?
The canonical SMILES for 2-(7-chloroimidazo[1,5-a]pyridin-1-yl)-N-[(1E,3E)-1,4-diamino-4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]buta-1,3-dien-2-yl]acetamide;ethane is CC.N/C=C(\C=C(/N)OCc1cn2cc(C3CC3)ccc2n1)NC(=O)Cc1ncn2ccc(Cl)cc12.
What is the InChIKey of 2-(7-chloroimidazo[1,5-a]pyridin-1-yl)-N-[(1E,3E)-1,4-diamino-4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]buta-1,3-dien-2-yl]acetamide;ethane?
The InChIKey is KEABXGZTKQENQA-FCBTUFPBSA-N. The full InChI is InChI=1S/C24H24ClN7O2.C2H6/c25-17-5-6-31-14-28-20(21(31)7-17)9-24(33)30-18(10-26)8-22(27)34-13-19-12-32-11-16(15-1-2-15)3-4-23(32)29-19;1-2/h3-8,10-12,14-15H,1-2,9,13,26-27H2,(H,30,33);1-2H3/b18-10+,22-8+;.
What are the key properties of 2-(7-chloroimidazo[1,5-a]pyridin-1-yl)-N-[(1E,3E)-1,4-diamino-4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]buta-1,3-dien-2-yl]acetamide;ethane?
2-(7-chloroimidazo[1,5-a]pyridin-1-yl)-N-[(1E,3E)-1,4-diamino-4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]buta-1,3-dien-2-yl]acetamide;ethane has a molecular weight of 508.03 g/mol, XLogP of 4.01, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloroimidazo[1,5-a]pyridin-1-yl)-N-[(1E,3E)-1,4-diamino-4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]buta-1,3-dien-2-yl]acetamide;ethane is sourced from PubChem (CID 165131182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).