2-methyl-7-[4-[[methyl(propyl)amino]methyl]-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridin-5-amine

C20H24N6 — CID 59640103

IUPAC2-methyl-7-[4-[[methyl(propyl)amino]methyl]-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridin-5-amine
SMILESCCCN(C)Cc1cccc2[nH]c(-c3cc(N)nc4nc(C)[nH]c34)cc12
InChIInChI=1S/C20H24N6/c1-4-8-26(3)11-13-6-5-7-16-14(13)9-17(24-16)15-10-18(21)25-20-19(15)22-12(2)23-20/h5-7,9-10,24H,4,8,11H2,1-3H3,(H3,21,22,23,25)
InChIKeyIEHVXUNKWZTSEK-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.84
Rot. Bonds5

About 2-methyl-7-[4-[[methyl(propyl)amino]methyl]-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridin-5-amine

2-methyl-7-[4-[[methyl(propyl)amino]methyl]-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridin-5-amine (PubChem CID 59640103) has the molecular formula C20H24N6 and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-methyl-7-[4-[[methyl(propyl)amino]methyl]-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name2-methyl-7-[4-[[methyl(propyl)amino]methyl]-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridin-5-amine
PubChem CID59640103
Molecular FormulaC20H24N6
Molecular Weight348.45 g/mol
Exact Mass348.21
IUPAC Name2-methyl-7-[4-[[methyl(propyl)amino]methyl]-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridin-5-amine
SMILESCCCN(C)Cc1cccc2[nH]c(-c3cc(N)nc4nc(C)[nH]c34)cc12
InChIInChI=1S/C20H24N6/c1-4-8-26(3)11-13-6-5-7-16-14(13)9-17(24-16)15-10-18(21)25-20-19(15)22-12(2)23-20/h5-7,9-10,24H,4,8,11H2,1-3H3,(H3,21,22,23,25)
InChIKeyIEHVXUNKWZTSEK-UHFFFAOYSA-N
XLogP3.84
TPSA86.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-[4-[[methyl(propyl)amino]methyl]-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridin-5-amine?
The IUPAC name of 2-methyl-7-[4-[[methyl(propyl)amino]methyl]-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridin-5-amine (CID 59640103) is 2-methyl-7-[4-[[methyl(propyl)amino]methyl]-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 2-methyl-7-[4-[[methyl(propyl)amino]methyl]-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridin-5-amine?
The canonical SMILES for 2-methyl-7-[4-[[methyl(propyl)amino]methyl]-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridin-5-amine is CCCN(C)Cc1cccc2[nH]c(-c3cc(N)nc4nc(C)[nH]c34)cc12.
What is the InChIKey of 2-methyl-7-[4-[[methyl(propyl)amino]methyl]-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridin-5-amine?
The InChIKey is IEHVXUNKWZTSEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6/c1-4-8-26(3)11-13-6-5-7-16-14(13)9-17(24-16)15-10-18(21)25-20-19(15)22-12(2)23-20/h5-7,9-10,24H,4,8,11H2,1-3H3,(H3,21,22,23,25).
What are the key properties of 2-methyl-7-[4-[[methyl(propyl)amino]methyl]-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridin-5-amine?
2-methyl-7-[4-[[methyl(propyl)amino]methyl]-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridin-5-amine has a molecular weight of 348.45 g/mol, XLogP of 3.84, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-[4-[[methyl(propyl)amino]methyl]-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 59640103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).