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

C29H31N7O2 — CID 58242681

IUPAC2-(5-amino-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-N-[(2S)-1-(N-ethylanilino)-3-oxopentan-2-yl]-1H-indole-5-carboxamide
SMILESCCC(=O)[C@H](CN(CC)c1ccccc1)NC(=O)c1ccc2[nH]c(-c3cc(N)nc4nc(C)[nH]c34)cc2c1
InChIInChI=1S/C29H31N7O2/c1-4-25(37)24(16-36(5-2)20-9-7-6-8-10-20)34-29(38)18-11-12-22-19(13-18)14-23(33-22)21-15-26(30)35-28-27(21)31-17(3)32-28/h6-15,24,33H,4-5,16H2,1-3H3,(H,34,38)(H3,30,31,32,35)/t24-/m0/s1
InChIKeyWKCBSCHBOXTICL-DEOSSOPVSA-N
MW509.61 g/mol
LogP4.60
Rot. Bonds9

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

2-(5-amino-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-N-[(2S)-1-(N-ethylanilino)-3-oxopentan-2-yl]-1H-indole-5-carboxamide (PubChem CID 58242681) has the molecular formula C29H31N7O2 and a molecular weight of 509.61 g/mol. Its IUPAC name is 2-(5-amino-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-N-[(2S)-1-(N-ethylanilino)-3-oxopentan-2-yl]-1H-indole-5-carboxamide.

Molecular Properties

Compound Name2-(5-amino-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-N-[(2S)-1-(N-ethylanilino)-3-oxopentan-2-yl]-1H-indole-5-carboxamide
PubChem CID58242681
Molecular FormulaC29H31N7O2
Molecular Weight509.61 g/mol
Exact Mass509.25
IUPAC Name2-(5-amino-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-N-[(2S)-1-(N-ethylanilino)-3-oxopentan-2-yl]-1H-indole-5-carboxamide
SMILESCCC(=O)[C@H](CN(CC)c1ccccc1)NC(=O)c1ccc2[nH]c(-c3cc(N)nc4nc(C)[nH]c34)cc2c1
InChIInChI=1S/C29H31N7O2/c1-4-25(37)24(16-36(5-2)20-9-7-6-8-10-20)34-29(38)18-11-12-22-19(13-18)14-23(33-22)21-15-26(30)35-28-27(21)31-17(3)32-28/h6-15,24,33H,4-5,16H2,1-3H3,(H,34,38)(H3,30,31,32,35)/t24-/m0/s1
InChIKeyWKCBSCHBOXTICL-DEOSSOPVSA-N
XLogP4.60
TPSA132.79 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.61
LogP ≤ 54.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-(5-amino-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-N-[(2S)-1-(N-ethylanilino)-3-oxopentan-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-[(2S)-1-(N-ethylanilino)-3-oxopentan-2-yl]-1H-indole-5-carboxamide?
The IUPAC name of 2-(5-amino-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-N-[(2S)-1-(N-ethylanilino)-3-oxopentan-2-yl]-1H-indole-5-carboxamide (CID 58242681) is 2-(5-amino-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-N-[(2S)-1-(N-ethylanilino)-3-oxopentan-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-[(2S)-1-(N-ethylanilino)-3-oxopentan-2-yl]-1H-indole-5-carboxamide?
The canonical SMILES for 2-(5-amino-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-N-[(2S)-1-(N-ethylanilino)-3-oxopentan-2-yl]-1H-indole-5-carboxamide is CCC(=O)[C@H](CN(CC)c1ccccc1)NC(=O)c1ccc2[nH]c(-c3cc(N)nc4nc(C)[nH]c34)cc2c1.
What is the InChIKey of 2-(5-amino-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-N-[(2S)-1-(N-ethylanilino)-3-oxopentan-2-yl]-1H-indole-5-carboxamide?
The InChIKey is WKCBSCHBOXTICL-DEOSSOPVSA-N. The full InChI is InChI=1S/C29H31N7O2/c1-4-25(37)24(16-36(5-2)20-9-7-6-8-10-20)34-29(38)18-11-12-22-19(13-18)14-23(33-22)21-15-26(30)35-28-27(21)31-17(3)32-28/h6-15,24,33H,4-5,16H2,1-3H3,(H,34,38)(H3,30,31,32,35)/t24-/m0/s1.
What are the key properties of 2-(5-amino-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-N-[(2S)-1-(N-ethylanilino)-3-oxopentan-2-yl]-1H-indole-5-carboxamide?
2-(5-amino-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-N-[(2S)-1-(N-ethylanilino)-3-oxopentan-2-yl]-1H-indole-5-carboxamide has a molecular weight of 509.61 g/mol, XLogP of 4.60, 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-[(2S)-1-(N-ethylanilino)-3-oxopentan-2-yl]-1H-indole-5-carboxamide is sourced from PubChem (CID 58242681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).