2-(5-amino-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-N-[1-(N-ethylanilino)-3-methoxypropan-2-yl]-1H-indole-5-carboxamide

C28H31N7O2 — CID 59640237

IUPAC2-(5-amino-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-N-[1-(N-ethylanilino)-3-methoxypropan-2-yl]-1H-indole-5-carboxamide
SMILESCCN(CC(COC)NC(=O)c1ccc2[nH]c(-c3cc(N)nc4nc(C)[nH]c34)cc2c1)c1ccccc1
InChIInChI=1S/C28H31N7O2/c1-4-35(21-8-6-5-7-9-21)15-20(16-37-3)32-28(36)18-10-11-23-19(12-18)13-24(33-23)22-14-25(29)34-27-26(22)30-17(2)31-27/h5-14,20,33H,4,15-16H2,1-3H3,(H,32,36)(H3,29,30,31,34)
InChIKeyPKTZWDKQZBGEBW-UHFFFAOYSA-N
MW497.60 g/mol
LogP4.27
Rot. Bonds9

About 2-(5-amino-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-N-[1-(N-ethylanilino)-3-methoxypropan-2-yl]-1H-indole-5-carboxamide

2-(5-amino-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-N-[1-(N-ethylanilino)-3-methoxypropan-2-yl]-1H-indole-5-carboxamide (PubChem CID 59640237) has the molecular formula C28H31N7O2 and a molecular weight of 497.60 g/mol. Its IUPAC name is 2-(5-amino-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-N-[1-(N-ethylanilino)-3-methoxypropan-2-yl]-1H-indole-5-carboxamide.

Molecular Properties

Compound Name2-(5-amino-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-N-[1-(N-ethylanilino)-3-methoxypropan-2-yl]-1H-indole-5-carboxamide
PubChem CID59640237
Molecular FormulaC28H31N7O2
Molecular Weight497.60 g/mol
Exact Mass497.25
IUPAC Name2-(5-amino-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-N-[1-(N-ethylanilino)-3-methoxypropan-2-yl]-1H-indole-5-carboxamide
SMILESCCN(CC(COC)NC(=O)c1ccc2[nH]c(-c3cc(N)nc4nc(C)[nH]c34)cc2c1)c1ccccc1
InChIInChI=1S/C28H31N7O2/c1-4-35(21-8-6-5-7-9-21)15-20(16-37-3)32-28(36)18-10-11-23-19(12-18)13-24(33-23)22-14-25(29)34-27-26(22)30-17(2)31-27/h5-14,20,33H,4,15-16H2,1-3H3,(H,32,36)(H3,29,30,31,34)
InChIKeyPKTZWDKQZBGEBW-UHFFFAOYSA-N
XLogP4.27
TPSA124.95 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.60
LogP ≤ 54.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-(5-amino-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-N-[1-(N-ethylanilino)-3-methoxypropan-2-yl]-1H-indole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-N-[1-(N-ethylanilino)-3-methoxypropan-2-yl]-1H-indole-5-carboxamide?
The IUPAC name of 2-(5-amino-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-N-[1-(N-ethylanilino)-3-methoxypropan-2-yl]-1H-indole-5-carboxamide (CID 59640237) is 2-(5-amino-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-N-[1-(N-ethylanilino)-3-methoxypropan-2-yl]-1H-indole-5-carboxamide.
What is the SMILES notation for 2-(5-amino-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-N-[1-(N-ethylanilino)-3-methoxypropan-2-yl]-1H-indole-5-carboxamide?
The canonical SMILES for 2-(5-amino-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-N-[1-(N-ethylanilino)-3-methoxypropan-2-yl]-1H-indole-5-carboxamide is CCN(CC(COC)NC(=O)c1ccc2[nH]c(-c3cc(N)nc4nc(C)[nH]c34)cc2c1)c1ccccc1.
What is the InChIKey of 2-(5-amino-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-N-[1-(N-ethylanilino)-3-methoxypropan-2-yl]-1H-indole-5-carboxamide?
The InChIKey is PKTZWDKQZBGEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N7O2/c1-4-35(21-8-6-5-7-9-21)15-20(16-37-3)32-28(36)18-10-11-23-19(12-18)13-24(33-23)22-14-25(29)34-27-26(22)30-17(2)31-27/h5-14,20,33H,4,15-16H2,1-3H3,(H,32,36)(H3,29,30,31,34).
What are the key properties of 2-(5-amino-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-N-[1-(N-ethylanilino)-3-methoxypropan-2-yl]-1H-indole-5-carboxamide?
2-(5-amino-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-N-[1-(N-ethylanilino)-3-methoxypropan-2-yl]-1H-indole-5-carboxamide has a molecular weight of 497.60 g/mol, XLogP of 4.27, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-N-[1-(N-ethylanilino)-3-methoxypropan-2-yl]-1H-indole-5-carboxamide is sourced from PubChem (CID 59640237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).