N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-2-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide

C26H28N4O2 — CID 143902920

IUPACN-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-2-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide
SMILESC=C/C=C\C=C(/C)NC(=O)c1cccn2cc(-c3cccc(CN4CCOCC4)c3)nc12
InChIInChI=1S/C26H28N4O2/c1-3-4-5-8-20(2)27-26(31)23-11-7-12-30-19-24(28-25(23)30)22-10-6-9-21(17-22)18-29-13-15-32-16-14-29/h3-12,17,19H,1,13-16,18H2,2H3,(H,27,31)/b5-4-,20-8+
InChIKeyKSXZHBQMCGFIMY-HRIIHXOXSA-N
MW428.54 g/mol
LogP4.21
Rot. Bonds7

About N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-2-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide

N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-2-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide (PubChem CID 143902920) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-2-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide.

Molecular Properties

Compound NameN-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-2-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide
PubChem CID143902920
Molecular FormulaC26H28N4O2
Molecular Weight428.54 g/mol
Exact Mass428.22
IUPAC NameN-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-2-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide
SMILESC=C/C=C\C=C(/C)NC(=O)c1cccn2cc(-c3cccc(CN4CCOCC4)c3)nc12
InChIInChI=1S/C26H28N4O2/c1-3-4-5-8-20(2)27-26(31)23-11-7-12-30-19-24(28-25(23)30)22-10-6-9-21(17-22)18-29-13-15-32-16-14-29/h3-12,17,19H,1,13-16,18H2,2H3,(H,27,31)/b5-4-,20-8+
InChIKeyKSXZHBQMCGFIMY-HRIIHXOXSA-N
XLogP4.21
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine-8-carboxamide
CID 44540670
2-[3-(morpholin-4-ylmethyl)phenyl]benzoic acid
CID 39226434
4-[[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]methyl]morpholine
CID 58208395
2-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid;2-[4-(morpholin-4-ylmethyl)phenyl]-N-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-8-carboxamide;1,3-thiazol-2-amine
CID 158681131
CID 158999175
CID 158999175
4-[[3-(6-methoxy-2-pyridinyl)phenyl]methyl]morpholine
CID 50962081
3-[3-(morpholin-4-ylmethyl)phenyl]-1H-indazole-4-carboxylic acid
CID 39219778
5-[3-(morpholin-4-ylmethyl)phenyl]furan-2-carboxylic acid
CID 56716837
3-[3-(morpholin-4-ylmethyl)phenyl]phenol
CID 39755731
4-[(3-quinolin-2-ylphenyl)methyl]morpholine
CID 50980839
2-[3-(morpholin-4-ylmethyl)phenyl]ethylphosphonic acid
CID 155789739
ethane;2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid
CID 143902946

Frequently Asked Questions

What is the IUPAC name of N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-2-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide?
The IUPAC name of N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-2-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide (CID 143902920) is N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-2-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide.
What is the SMILES notation for N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-2-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide?
The canonical SMILES for N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-2-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide is C=C/C=C\C=C(/C)NC(=O)c1cccn2cc(-c3cccc(CN4CCOCC4)c3)nc12.
What is the InChIKey of N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-2-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide?
The InChIKey is KSXZHBQMCGFIMY-HRIIHXOXSA-N. The full InChI is InChI=1S/C26H28N4O2/c1-3-4-5-8-20(2)27-26(31)23-11-7-12-30-19-24(28-25(23)30)22-10-6-9-21(17-22)18-29-13-15-32-16-14-29/h3-12,17,19H,1,13-16,18H2,2H3,(H,27,31)/b5-4-,20-8+.
What are the key properties of N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-2-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide?
N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-2-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide has a molecular weight of 428.54 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-2-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide is sourced from PubChem (CID 143902920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).