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

C20H20N6O — CID 86282200

IUPAC2-[1-(5-methoxy-7-methyl-1H-indol-4-yl)-1-(methylamino)ethyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile
SMILESCNC(C)(c1nc2ncc(C#N)cc2[nH]1)c1c(OC)cc(C)c2[nH]ccc12
InChIInChI=1S/C20H20N6O/c1-11-7-15(27-4)16(13-5-6-23-17(11)13)20(2,22-3)19-25-14-8-12(9-21)10-24-18(14)26-19/h5-8,10,22-23H,1-4H3,(H,24,25,26)
InChIKeyGVNPLJMRXUVHKE-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.11
Rot. Bonds4

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

2-[1-(5-methoxy-7-methyl-1H-indol-4-yl)-1-(methylamino)ethyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile (PubChem CID 86282200) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is 2-[1-(5-methoxy-7-methyl-1H-indol-4-yl)-1-(methylamino)ethyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile.

Molecular Properties

Compound Name2-[1-(5-methoxy-7-methyl-1H-indol-4-yl)-1-(methylamino)ethyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile
PubChem CID86282200
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC Name2-[1-(5-methoxy-7-methyl-1H-indol-4-yl)-1-(methylamino)ethyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile
SMILESCNC(C)(c1nc2ncc(C#N)cc2[nH]1)c1c(OC)cc(C)c2[nH]ccc12
InChIInChI=1S/C20H20N6O/c1-11-7-15(27-4)16(13-5-6-23-17(11)13)20(2,22-3)19-25-14-8-12(9-21)10-24-18(14)26-19/h5-8,10,22-23H,1-4H3,(H,24,25,26)
InChIKeyGVNPLJMRXUVHKE-UHFFFAOYSA-N
XLogP3.11
TPSA102.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-methoxy-7-methyl-1H-indol-4-yl)-1-(methylamino)ethyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile?
The IUPAC name of 2-[1-(5-methoxy-7-methyl-1H-indol-4-yl)-1-(methylamino)ethyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile (CID 86282200) is 2-[1-(5-methoxy-7-methyl-1H-indol-4-yl)-1-(methylamino)ethyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile.
What is the SMILES notation for 2-[1-(5-methoxy-7-methyl-1H-indol-4-yl)-1-(methylamino)ethyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile?
The canonical SMILES for 2-[1-(5-methoxy-7-methyl-1H-indol-4-yl)-1-(methylamino)ethyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile is CNC(C)(c1nc2ncc(C#N)cc2[nH]1)c1c(OC)cc(C)c2[nH]ccc12.
What is the InChIKey of 2-[1-(5-methoxy-7-methyl-1H-indol-4-yl)-1-(methylamino)ethyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile?
The InChIKey is GVNPLJMRXUVHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c1-11-7-15(27-4)16(13-5-6-23-17(11)13)20(2,22-3)19-25-14-8-12(9-21)10-24-18(14)26-19/h5-8,10,22-23H,1-4H3,(H,24,25,26).
What are the key properties of 2-[1-(5-methoxy-7-methyl-1H-indol-4-yl)-1-(methylamino)ethyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile?
2-[1-(5-methoxy-7-methyl-1H-indol-4-yl)-1-(methylamino)ethyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile has a molecular weight of 360.42 g/mol, XLogP of 3.11, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-methoxy-7-methyl-1H-indol-4-yl)-1-(methylamino)ethyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile is sourced from PubChem (CID 86282200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).