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

C25H32N6O — CID 70809463

IUPAC1-[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
SMILESCC(=O)C1CCC(N(C)Cc2ccc3c(c2)CC(c2cc(N)nc4nc(C)[nH]c24)N3)CC1
InChIInChI=1S/C25H32N6O/c1-14(32)17-5-7-19(8-6-17)31(3)13-16-4-9-21-18(10-16)11-22(29-21)20-12-23(26)30-25-24(20)27-15(2)28-25/h4,9-10,12,17,19,22,29H,5-8,11,13H2,1-3H3,(H3,26,27,28,30)
InChIKeyNFAUAPKBOQNCAS-UHFFFAOYSA-N
MW432.57 g/mol
LogP4.14
Rot. Bonds5

About 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

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 (PubChem CID 70809463) has the molecular formula C25H32N6O and a molecular weight of 432.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID70809463
Molecular FormulaC25H32N6O
Molecular Weight432.57 g/mol
Exact Mass432.26
IUPAC Name1-[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
SMILESCC(=O)C1CCC(N(C)Cc2ccc3c(c2)CC(c2cc(N)nc4nc(C)[nH]c24)N3)CC1
InChIInChI=1S/C25H32N6O/c1-14(32)17-5-7-19(8-6-17)31(3)13-16-4-9-21-18(10-16)11-22(29-21)20-12-23(26)30-25-24(20)27-15(2)28-25/h4,9-10,12,17,19,22,29H,5-8,11,13H2,1-3H3,(H3,26,27,28,30)
InChIKeyNFAUAPKBOQNCAS-UHFFFAOYSA-N
XLogP4.14
TPSA99.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)C1CCC(N(C)Cc2ccc3c(c2)CC(c2cc(N)nc4nc(C)[nH]c24)N3)CC1.
What is the InChIKey of 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?
The InChIKey is NFAUAPKBOQNCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O/c1-14(32)17-5-7-19(8-6-17)31(3)13-16-4-9-21-18(10-16)11-22(29-21)20-12-23(26)30-25-24(20)27-15(2)28-25/h4,9-10,12,17,19,22,29H,5-8,11,13H2,1-3H3,(H3,26,27,28,30).
What are the key properties of 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?
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 has a molecular weight of 432.57 g/mol, XLogP of 4.14, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 70809463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).