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

C20H19N5O — CID 86282201

IUPAC2-[2-(5-methoxy-7-methyl-1H-indol-4-yl)propan-2-yl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile
SMILESCOc1cc(C)c2[nH]ccc2c1C(C)(C)c1nc2ncc(C#N)cc2[nH]1
InChIInChI=1S/C20H19N5O/c1-11-7-15(26-4)16(13-5-6-22-17(11)13)20(2,3)19-24-14-8-12(9-21)10-23-18(14)25-19/h5-8,10,22H,1-4H3,(H,23,24,25)
InChIKeyRCFXHYBGKNUDMF-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.95
Rot. Bonds3

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

2-[2-(5-methoxy-7-methyl-1H-indol-4-yl)propan-2-yl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile (PubChem CID 86282201) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is 2-[2-(5-methoxy-7-methyl-1H-indol-4-yl)propan-2-yl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile.

Molecular Properties

Compound Name2-[2-(5-methoxy-7-methyl-1H-indol-4-yl)propan-2-yl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile
PubChem CID86282201
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name2-[2-(5-methoxy-7-methyl-1H-indol-4-yl)propan-2-yl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile
SMILESCOc1cc(C)c2[nH]ccc2c1C(C)(C)c1nc2ncc(C#N)cc2[nH]1
InChIInChI=1S/C20H19N5O/c1-11-7-15(26-4)16(13-5-6-22-17(11)13)20(2,3)19-24-14-8-12(9-21)10-23-18(14)25-19/h5-8,10,22H,1-4H3,(H,23,24,25)
InChIKeyRCFXHYBGKNUDMF-UHFFFAOYSA-N
XLogP3.95
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-methoxy-7-methyl-1H-indol-4-yl)propan-2-yl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile?
The IUPAC name of 2-[2-(5-methoxy-7-methyl-1H-indol-4-yl)propan-2-yl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile (CID 86282201) is 2-[2-(5-methoxy-7-methyl-1H-indol-4-yl)propan-2-yl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile.
What is the SMILES notation for 2-[2-(5-methoxy-7-methyl-1H-indol-4-yl)propan-2-yl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile?
The canonical SMILES for 2-[2-(5-methoxy-7-methyl-1H-indol-4-yl)propan-2-yl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile is COc1cc(C)c2[nH]ccc2c1C(C)(C)c1nc2ncc(C#N)cc2[nH]1.
What is the InChIKey of 2-[2-(5-methoxy-7-methyl-1H-indol-4-yl)propan-2-yl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile?
The InChIKey is RCFXHYBGKNUDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-11-7-15(26-4)16(13-5-6-22-17(11)13)20(2,3)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-[2-(5-methoxy-7-methyl-1H-indol-4-yl)propan-2-yl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile?
2-[2-(5-methoxy-7-methyl-1H-indol-4-yl)propan-2-yl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile has a molecular weight of 345.41 g/mol, XLogP of 3.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-methoxy-7-methyl-1H-indol-4-yl)propan-2-yl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile is sourced from PubChem (CID 86282201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).