2-[1-methoxy-1-(5-methoxy-7-methyl-1H-indol-4-yl)ethyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile

C20H19N5O2 — CID 90436540

IUPAC2-[1-methoxy-1-(5-methoxy-7-methyl-1H-indol-4-yl)ethyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile
SMILESCOc1cc(C)c2[nH]ccc2c1C(C)(OC)c1nc2ncc(C#N)cc2[nH]1
InChIInChI=1S/C20H19N5O2/c1-11-7-15(26-3)16(13-5-6-22-17(11)13)20(2,27-4)19-24-14-8-12(9-21)10-23-18(14)25-19/h5-8,10,22H,1-4H3,(H,23,24,25)
InChIKeyHOGBCBSOBAACQQ-UHFFFAOYSA-N
MW361.41 g/mol
LogP3.54
Rot. Bonds4

About 2-[1-methoxy-1-(5-methoxy-7-methyl-1H-indol-4-yl)ethyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile

2-[1-methoxy-1-(5-methoxy-7-methyl-1H-indol-4-yl)ethyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile (PubChem CID 90436540) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 2-[1-methoxy-1-(5-methoxy-7-methyl-1H-indol-4-yl)ethyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile.

Molecular Properties

Compound Name2-[1-methoxy-1-(5-methoxy-7-methyl-1H-indol-4-yl)ethyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile
PubChem CID90436540
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name2-[1-methoxy-1-(5-methoxy-7-methyl-1H-indol-4-yl)ethyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile
SMILESCOc1cc(C)c2[nH]ccc2c1C(C)(OC)c1nc2ncc(C#N)cc2[nH]1
InChIInChI=1S/C20H19N5O2/c1-11-7-15(26-3)16(13-5-6-22-17(11)13)20(2,27-4)19-24-14-8-12(9-21)10-23-18(14)25-19/h5-8,10,22H,1-4H3,(H,23,24,25)
InChIKeyHOGBCBSOBAACQQ-UHFFFAOYSA-N
XLogP3.54
TPSA99.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6H-Pyrido(4,3-b)carbazole, 1-((2-aminoethyl)amino)-9-methoxy-5-methyl-, hemihydrate
CID 153725
6-(5-methoxy-1-methyl-1H-indol-3-yl)-5H-pyrrolo[2,3-b]pyrazine
CID 9860448
6H-Pyrido(4,3-b)carbazol-1-amine, N-(3-(1H-imidazol-1-yl)propyl)-9-methoxy-5-methyl-
CID 153594
1,2-Ethanediamine, N'-(9-methoxy-5-methyl-6H-pyrido(4,3-b)carbazol-1-yl)-N,N-dimethyl-
CID 153778
14-Methoxy-5,15,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene-9-carbonitrile
CID 77106236
2-(2-(5-Methoxy-7-methyl-1H-indol-4-yl)propan-2-yl)-3H-imidazo[4,5-b]pyridine-6-carbonitrile
CID 86282201
4-[5-(5-methoxy-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
CID 129206869
3-[4-[2-(5-methoxy-1H-indol-3-yl)ethylamino]pyrimidin-2-yl]benzonitrile
CID 3233106
3-[4-[2-(5-methoxy-1H-indol-3-yl)ethylamino]quinazolin-2-yl]benzonitrile
CID 3233817
3-[6-[2-(5-methoxy-1H-indol-3-yl)ethylamino]pyrimidin-4-yl]benzonitrile
CID 3235217
3-[4-[2-(5-methoxy-1H-indol-3-yl)ethylamino]pyrimidin-5-yl]benzonitrile
CID 3235524
gamma-Secretase modulator 4
CID 91844707

Frequently Asked Questions

What is the IUPAC name of 2-[1-methoxy-1-(5-methoxy-7-methyl-1H-indol-4-yl)ethyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile?
The IUPAC name of 2-[1-methoxy-1-(5-methoxy-7-methyl-1H-indol-4-yl)ethyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile (CID 90436540) is 2-[1-methoxy-1-(5-methoxy-7-methyl-1H-indol-4-yl)ethyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile.
What is the SMILES notation for 2-[1-methoxy-1-(5-methoxy-7-methyl-1H-indol-4-yl)ethyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile?
The canonical SMILES for 2-[1-methoxy-1-(5-methoxy-7-methyl-1H-indol-4-yl)ethyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile is COc1cc(C)c2[nH]ccc2c1C(C)(OC)c1nc2ncc(C#N)cc2[nH]1.
What is the InChIKey of 2-[1-methoxy-1-(5-methoxy-7-methyl-1H-indol-4-yl)ethyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile?
The InChIKey is HOGBCBSOBAACQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-11-7-15(26-3)16(13-5-6-22-17(11)13)20(2,27-4)19-24-14-8-12(9-21)10-23-18(14)25-19/h5-8,10,22H,1-4H3,(H,23,24,25).
What are the key properties of 2-[1-methoxy-1-(5-methoxy-7-methyl-1H-indol-4-yl)ethyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile?
2-[1-methoxy-1-(5-methoxy-7-methyl-1H-indol-4-yl)ethyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile has a molecular weight of 361.41 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methoxy-1-(5-methoxy-7-methyl-1H-indol-4-yl)ethyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile is sourced from PubChem (CID 90436540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).