2-ethyl-N-[[4-(4-phenylpiperazin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide

C27H29N5O — CID 121442149

IUPAC2-ethyl-N-[[4-(4-phenylpiperazin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nc2ccccn2c1C(=O)NCc1ccc(N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C27H29N5O/c1-2-24-26(32-15-7-6-10-25(32)29-24)27(33)28-20-21-11-13-23(14-12-21)31-18-16-30(17-19-31)22-8-4-3-5-9-22/h3-15H,2,16-20H2,1H3,(H,28,33)
InChIKeyXAZYFNOJMDURSI-UHFFFAOYSA-N
MW439.56 g/mol
LogP4.15
Rot. Bonds6

About 2-ethyl-N-[[4-(4-phenylpiperazin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide

2-ethyl-N-[[4-(4-phenylpiperazin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 121442149) has the molecular formula C27H29N5O and a molecular weight of 439.56 g/mol. Its IUPAC name is 2-ethyl-N-[[4-(4-phenylpiperazin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[[4-(4-phenylpiperazin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID121442149
Molecular FormulaC27H29N5O
Molecular Weight439.56 g/mol
Exact Mass439.24
IUPAC Name2-ethyl-N-[[4-(4-phenylpiperazin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nc2ccccn2c1C(=O)NCc1ccc(N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C27H29N5O/c1-2-24-26(32-15-7-6-10-25(32)29-24)27(33)28-20-21-11-13-23(14-12-21)31-18-16-30(17-19-31)22-8-4-3-5-9-22/h3-15H,2,16-20H2,1H3,(H,28,33)
InChIKeyXAZYFNOJMDURSI-UHFFFAOYSA-N
XLogP4.15
TPSA52.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-7-(4-phenylpiperazin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 53466676
8-chloro-2-ethyl-N-[[4-[4-(4-methylphenyl)piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 121442236
2-ethyl-N-[[4-[(7R)-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 176614133
2-ethyl-N-[[4-[4-(4-methoxyphenyl)piperazin-1-yl]cyclohepta-1,3,5-trien-1-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 166657173
7-chloro-N-[[4-(4-chloropiperidin-1-yl)phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide
CID 90683102
8-chloro-2-ethyl-N-[[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 90479944
N-[[4-[4-(4-chlorophenyl)piperazin-1-yl]phenyl]methyl]-2-ethyl-6-methoxyimidazo[1,2-a]pyridine-3-carboxamide
CID 121442204
N-[[4-[4-(4-chlorophenyl)piperazin-1-yl]phenyl]methyl]-2-ethyl-8-methoxyimidazo[1,2-a]pyridine-3-carboxamide
CID 90480210
2-ethyl-N-[[4-[4-(4-phosphanylphenyl)piperazin-1-yl]phenyl]methyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 144782840
6-chloro-2-ethyl-N-[[4-(4-pyridin-2-ylpiperidin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 135193991
2-ethyl-N-[[4-[[4-(trifluoromethoxy)phenyl]methylamino]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;methane
CID 161026096
6-chloro-2-ethyl-N-[[4-(2-phenyl-2-azaspiro[3.3]heptan-6-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 153447158

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[[4-(4-phenylpiperazin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 2-ethyl-N-[[4-(4-phenylpiperazin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 121442149) is 2-ethyl-N-[[4-(4-phenylpiperazin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 2-ethyl-N-[[4-(4-phenylpiperazin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 2-ethyl-N-[[4-(4-phenylpiperazin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is CCc1nc2ccccn2c1C(=O)NCc1ccc(N2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of 2-ethyl-N-[[4-(4-phenylpiperazin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is XAZYFNOJMDURSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O/c1-2-24-26(32-15-7-6-10-25(32)29-24)27(33)28-20-21-11-13-23(14-12-21)31-18-16-30(17-19-31)22-8-4-3-5-9-22/h3-15H,2,16-20H2,1H3,(H,28,33).
What are the key properties of 2-ethyl-N-[[4-(4-phenylpiperazin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
2-ethyl-N-[[4-(4-phenylpiperazin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 439.56 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[[4-(4-phenylpiperazin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 121442149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).