2-ethyl-N-[2-(1H-indol-3-yl)ethyl]-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]imidazo[1,2-a]pyridine-6-carboxamide

C26H29N7O — CID 46948149

IUPAC2-ethyl-N-[2-(1H-indol-3-yl)ethyl]-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCCc1nc2ccc(C(=O)NCCc3c[nH]c4ccccc34)cn2c1N(C)Cc1nccn1C
InChIInChI=1S/C26H29N7O/c1-4-21-26(32(3)17-24-27-13-14-31(24)2)33-16-19(9-10-23(33)30-21)25(34)28-12-11-18-15-29-22-8-6-5-7-20(18)22/h5-10,13-16,29H,4,11-12,17H2,1-3H3,(H,28,34)
InChIKeySICQESLPYQJJSH-UHFFFAOYSA-N
MW455.57 g/mol
LogP3.72
Rot. Bonds8

About 2-ethyl-N-[2-(1H-indol-3-yl)ethyl]-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]imidazo[1,2-a]pyridine-6-carboxamide

2-ethyl-N-[2-(1H-indol-3-yl)ethyl]-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 46948149) has the molecular formula C26H29N7O and a molecular weight of 455.57 g/mol. Its IUPAC name is 2-ethyl-N-[2-(1H-indol-3-yl)ethyl]-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[2-(1H-indol-3-yl)ethyl]-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID46948149
Molecular FormulaC26H29N7O
Molecular Weight455.57 g/mol
Exact Mass455.24
IUPAC Name2-ethyl-N-[2-(1H-indol-3-yl)ethyl]-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCCc1nc2ccc(C(=O)NCCc3c[nH]c4ccccc34)cn2c1N(C)Cc1nccn1C
InChIInChI=1S/C26H29N7O/c1-4-21-26(32(3)17-24-27-13-14-31(24)2)33-16-19(9-10-23(33)30-21)25(34)28-12-11-18-15-29-22-8-6-5-7-20(18)22/h5-10,13-16,29H,4,11-12,17H2,1-3H3,(H,28,34)
InChIKeySICQESLPYQJJSH-UHFFFAOYSA-N
XLogP3.72
TPSA83.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.57
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-3-phenyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
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CID 44783289
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N-[2-(1H-indol-3-yl)ethyl]-1-methyl-N-[(1-methylimidazol-2-yl)methyl]indole-2-carboxamide
CID 42796907
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CID 109156275
N-[2-(1H-indol-3-yl)ethyl]-1-methylimidazole-4-carboxamide
CID 103803030
3-[[4-(dimethylamino)phenyl]methyl-methylamino]-2-ethyl-N-[2-(4-methoxyphenoxy)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 46948251
N-[2-(1H-indol-3-yl)ethyl]-1-methyltriazole-4-carboxamide
CID 45497188
N-[2-(1H-indol-3-yl)ethyl]-8-(4-methylpiperazin-1-yl)naphthalene-2-carboxamide
CID 22115646
2-(diethylamino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide
CID 109309635
3,4-diethoxy-N-[2-(1H-indol-3-yl)ethyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-(1H-indol-3-yl)ethyl]-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of 2-ethyl-N-[2-(1H-indol-3-yl)ethyl]-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]imidazo[1,2-a]pyridine-6-carboxamide (CID 46948149) is 2-ethyl-N-[2-(1H-indol-3-yl)ethyl]-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for 2-ethyl-N-[2-(1H-indol-3-yl)ethyl]-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for 2-ethyl-N-[2-(1H-indol-3-yl)ethyl]-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]imidazo[1,2-a]pyridine-6-carboxamide is CCc1nc2ccc(C(=O)NCCc3c[nH]c4ccccc34)cn2c1N(C)Cc1nccn1C.
What is the InChIKey of 2-ethyl-N-[2-(1H-indol-3-yl)ethyl]-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is SICQESLPYQJJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O/c1-4-21-26(32(3)17-24-27-13-14-31(24)2)33-16-19(9-10-23(33)30-21)25(34)28-12-11-18-15-29-22-8-6-5-7-20(18)22/h5-10,13-16,29H,4,11-12,17H2,1-3H3,(H,28,34).
What are the key properties of 2-ethyl-N-[2-(1H-indol-3-yl)ethyl]-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]imidazo[1,2-a]pyridine-6-carboxamide?
2-ethyl-N-[2-(1H-indol-3-yl)ethyl]-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 455.57 g/mol, XLogP of 3.72, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-(1H-indol-3-yl)ethyl]-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 46948149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).