7-[5-[[[3-methoxy-2-(methoxymethyl)propyl]-methylamino]methyl]-2,3-dihydro-1H-indol-2-yl]-2-methyl-1H-imidazo[4,5-b]pyridin-5-amine

C23H32N6O2 — CID 70809481

IUPAC7-[5-[[[3-methoxy-2-(methoxymethyl)propyl]-methylamino]methyl]-2,3-dihydro-1H-indol-2-yl]-2-methyl-1H-imidazo[4,5-b]pyridin-5-amine
SMILESCOCC(COC)CN(C)Cc1ccc2c(c1)CC(c1cc(N)nc3nc(C)[nH]c13)N2
InChIInChI=1S/C23H32N6O2/c1-14-25-22-18(9-21(24)28-23(22)26-14)20-8-17-7-15(5-6-19(17)27-20)10-29(2)11-16(12-30-3)13-31-4/h5-7,9,16,20,27H,8,10-13H2,1-4H3,(H3,24,25,26,28)
InChIKeyKOAZMZFMWBWCTO-UHFFFAOYSA-N
MW424.55 g/mol
LogP2.90
Rot. Bonds9

About 7-[5-[[[3-methoxy-2-(methoxymethyl)propyl]-methylamino]methyl]-2,3-dihydro-1H-indol-2-yl]-2-methyl-1H-imidazo[4,5-b]pyridin-5-amine

7-[5-[[[3-methoxy-2-(methoxymethyl)propyl]-methylamino]methyl]-2,3-dihydro-1H-indol-2-yl]-2-methyl-1H-imidazo[4,5-b]pyridin-5-amine (PubChem CID 70809481) has the molecular formula C23H32N6O2 and a molecular weight of 424.55 g/mol. Its IUPAC name is 7-[5-[[[3-methoxy-2-(methoxymethyl)propyl]-methylamino]methyl]-2,3-dihydro-1H-indol-2-yl]-2-methyl-1H-imidazo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[5-[[[3-methoxy-2-(methoxymethyl)propyl]-methylamino]methyl]-2,3-dihydro-1H-indol-2-yl]-2-methyl-1H-imidazo[4,5-b]pyridin-5-amine
PubChem CID70809481
Molecular FormulaC23H32N6O2
Molecular Weight424.55 g/mol
Exact Mass424.26
IUPAC Name7-[5-[[[3-methoxy-2-(methoxymethyl)propyl]-methylamino]methyl]-2,3-dihydro-1H-indol-2-yl]-2-methyl-1H-imidazo[4,5-b]pyridin-5-amine
SMILESCOCC(COC)CN(C)Cc1ccc2c(c1)CC(c1cc(N)nc3nc(C)[nH]c13)N2
InChIInChI=1S/C23H32N6O2/c1-14-25-22-18(9-21(24)28-23(22)26-14)20-8-17-7-15(5-6-19(17)27-20)10-29(2)11-16(12-30-3)13-31-4/h5-7,9,16,20,27H,8,10-13H2,1-4H3,(H3,24,25,26,28)
InChIKeyKOAZMZFMWBWCTO-UHFFFAOYSA-N
XLogP2.90
TPSA101.32 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 7-[5-[[[3-methoxy-2-(methoxymethyl)propyl]-methylamino]methyl]-2,3-dihydro-1H-indol-2-yl]-2-methyl-1H-imidazo[4,5-b]pyridin-5-amine with MolForge

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Related Compounds

1-[4-[[2-(5-amino-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-2,3-dihydro-1H-indol-5-yl]methyl-methylamino]cyclohexyl]ethanone
CID 70809463
N-methyl-N-[[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-2,3-dihydro-1H-indol-5-yl]methyl]cyclopentanamine
CID 70809405
4-methyl-2-[[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-2,3-dihydro-1H-indol-5-yl]methylamino]pentan-1-ol
CID 71131698
N-[[2-(1H-imidazo[4,5-b]pyridin-7-yl)-2,3-dihydro-1H-indol-5-yl]methyl]-N-methylcyclopentanamine
CID 70809407
5-butyl-2-(2-methoxyphenyl)-2,3-dihydro-1H-indole
CID 3984067
4-[[2-(5-amino-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indol-5-yl]methyl-methylamino]-2,2,6,6-tetramethylcyclohexan-1-one
CID 59640040
2-[[methyl-[(2-methyl-3H-benzimidazol-5-yl)methyl]amino]methyl]butan-1-ol
CID 115250935
1-methoxy-N-methyl-N-[[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indol-5-yl]methyl]butan-2-amine
CID 59640195
1-[(3,4-dimethylphenyl)methyl-methylamino]-3-methoxypropan-2-ol
CID 62016738
4-[[2-[5-amino-2-[[7-[6-[[benzyl(methyl)amino]methyl]-1H-indol-2-yl]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-yl]-1H-indol-5-yl]methyl-methylamino]cyclohexan-1-ol
CID 142923631
2-methyl-5-[[methyl(2-methylpropyl)amino]methyl]aniline
CID 43272233
5-ethyl-2-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole
CID 5136391

Frequently Asked Questions

What is the IUPAC name of 7-[5-[[[3-methoxy-2-(methoxymethyl)propyl]-methylamino]methyl]-2,3-dihydro-1H-indol-2-yl]-2-methyl-1H-imidazo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[5-[[[3-methoxy-2-(methoxymethyl)propyl]-methylamino]methyl]-2,3-dihydro-1H-indol-2-yl]-2-methyl-1H-imidazo[4,5-b]pyridin-5-amine (CID 70809481) is 7-[5-[[[3-methoxy-2-(methoxymethyl)propyl]-methylamino]methyl]-2,3-dihydro-1H-indol-2-yl]-2-methyl-1H-imidazo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[5-[[[3-methoxy-2-(methoxymethyl)propyl]-methylamino]methyl]-2,3-dihydro-1H-indol-2-yl]-2-methyl-1H-imidazo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[5-[[[3-methoxy-2-(methoxymethyl)propyl]-methylamino]methyl]-2,3-dihydro-1H-indol-2-yl]-2-methyl-1H-imidazo[4,5-b]pyridin-5-amine is COCC(COC)CN(C)Cc1ccc2c(c1)CC(c1cc(N)nc3nc(C)[nH]c13)N2.
What is the InChIKey of 7-[5-[[[3-methoxy-2-(methoxymethyl)propyl]-methylamino]methyl]-2,3-dihydro-1H-indol-2-yl]-2-methyl-1H-imidazo[4,5-b]pyridin-5-amine?
The InChIKey is KOAZMZFMWBWCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6O2/c1-14-25-22-18(9-21(24)28-23(22)26-14)20-8-17-7-15(5-6-19(17)27-20)10-29(2)11-16(12-30-3)13-31-4/h5-7,9,16,20,27H,8,10-13H2,1-4H3,(H3,24,25,26,28).
What are the key properties of 7-[5-[[[3-methoxy-2-(methoxymethyl)propyl]-methylamino]methyl]-2,3-dihydro-1H-indol-2-yl]-2-methyl-1H-imidazo[4,5-b]pyridin-5-amine?
7-[5-[[[3-methoxy-2-(methoxymethyl)propyl]-methylamino]methyl]-2,3-dihydro-1H-indol-2-yl]-2-methyl-1H-imidazo[4,5-b]pyridin-5-amine has a molecular weight of 424.55 g/mol, XLogP of 2.90, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-[[[3-methoxy-2-(methoxymethyl)propyl]-methylamino]methyl]-2,3-dihydro-1H-indol-2-yl]-2-methyl-1H-imidazo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 70809481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).