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

C21H22N6O — CID 59640283

IUPAC1-[[2-(5-amino-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indol-5-yl]methyl]piperidin-4-one
SMILESCc1nc2nc(N)cc(-c3cc4cc(CN5CCC(=O)CC5)ccc4[nH]3)c2[nH]1
InChIInChI=1S/C21H22N6O/c1-12-23-20-16(10-19(22)26-21(20)24-12)18-9-14-8-13(2-3-17(14)25-18)11-27-6-4-15(28)5-7-27/h2-3,8-10,25H,4-7,11H2,1H3,(H3,22,23,24,26)
InChIKeyAIQDDMQOKWUWBM-UHFFFAOYSA-N
MW374.45 g/mol
LogP3.16
Rot. Bonds3

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

1-[[2-(5-amino-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indol-5-yl]methyl]piperidin-4-one (PubChem CID 59640283) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is 1-[[2-(5-amino-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indol-5-yl]methyl]piperidin-4-one.

Molecular Properties

Compound Name1-[[2-(5-amino-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indol-5-yl]methyl]piperidin-4-one
PubChem CID59640283
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name1-[[2-(5-amino-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indol-5-yl]methyl]piperidin-4-one
SMILESCc1nc2nc(N)cc(-c3cc4cc(CN5CCC(=O)CC5)ccc4[nH]3)c2[nH]1
InChIInChI=1S/C21H22N6O/c1-12-23-20-16(10-19(22)26-21(20)24-12)18-9-14-8-13(2-3-17(14)25-18)11-27-6-4-15(28)5-7-27/h2-3,8-10,25H,4-7,11H2,1H3,(H3,22,23,24,26)
InChIKeyAIQDDMQOKWUWBM-UHFFFAOYSA-N
XLogP3.16
TPSA103.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[[2-(5-amino-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indol-5-yl]methyl]piperidin-4-one with MolForge

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Related Compounds

1-[[2-(5-amino-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indol-5-yl]methyl]piperidin-3-ol
CID 59640241
ethane;2-methyl-7-[6-(morpholin-4-ylmethyl)-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridin-5-amine
CID 142263154
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-7-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridine
CID 59640170
7-[5-[(cyclobutylamino)methyl]-1H-indol-2-yl]-2-methyl-1H-imidazo[4,5-b]pyridin-5-amine
CID 59640086
7-[6-[[cyclopentyl(methyl)amino]methyl]-1H-indol-2-yl]-2-[[7-[6-[[cyclopentyl(methyl)amino]methyl]-1H-indol-2-yl]-2-[[2-methyl-7-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridin-5-yl]methyl]-1H-imidazo[4,5-b]pyridin-6-yl]methyl]-1H-imidazo[4,5-b]pyridin-5-amine
CID 142923698
3-(methylideneamino)-4-[5-(pyrrolidin-1-ylmethyl)-1H-indol-2-yl]pyridine-2,6-diamine
CID 142263038
2-methyl-7-[5-[(2-methylaziridin-1-yl)methyl]-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridine
CID 59640083
1-[[2-(5-ethynyl-4-methyl-1H-pyrazol-3-yl)-1H-indol-5-yl]methyl]-4-methyl-1,4-diazepan-5-one
CID 142221993
3-[5-(azetidin-1-ylmethyl)-1H-indol-2-yl]-1H-quinolin-2-one
CID 10131514
2-methyl-7-[5-[(1-oxo-1,4-thiazinan-4-yl)methyl]-2,3-dihydro-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridin-5-amine
CID 70809362
4-methyl-1-[(2-methyl-1H-indol-5-yl)methyl]-1,4-diazepan-5-one
CID 71133335

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(5-amino-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indol-5-yl]methyl]piperidin-4-one?
The IUPAC name of 1-[[2-(5-amino-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indol-5-yl]methyl]piperidin-4-one (CID 59640283) is 1-[[2-(5-amino-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indol-5-yl]methyl]piperidin-4-one.
What is the SMILES notation for 1-[[2-(5-amino-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indol-5-yl]methyl]piperidin-4-one?
The canonical SMILES for 1-[[2-(5-amino-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indol-5-yl]methyl]piperidin-4-one is Cc1nc2nc(N)cc(-c3cc4cc(CN5CCC(=O)CC5)ccc4[nH]3)c2[nH]1.
What is the InChIKey of 1-[[2-(5-amino-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indol-5-yl]methyl]piperidin-4-one?
The InChIKey is AIQDDMQOKWUWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O/c1-12-23-20-16(10-19(22)26-21(20)24-12)18-9-14-8-13(2-3-17(14)25-18)11-27-6-4-15(28)5-7-27/h2-3,8-10,25H,4-7,11H2,1H3,(H3,22,23,24,26).
What are the key properties of 1-[[2-(5-amino-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indol-5-yl]methyl]piperidin-4-one?
1-[[2-(5-amino-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indol-5-yl]methyl]piperidin-4-one has a molecular weight of 374.45 g/mol, XLogP of 3.16, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(5-amino-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indol-5-yl]methyl]piperidin-4-one is sourced from PubChem (CID 59640283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).