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

C18H15N5O2 — CID 86282196

IUPAC2-[hydroxy-(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile
SMILESCOc1cc(C)c2[nH]ccc2c1C(O)c1nc2ncc(C#N)cc2[nH]1
InChIInChI=1S/C18H15N5O2/c1-9-5-13(25-2)14(11-3-4-20-15(9)11)16(24)18-22-12-6-10(7-19)8-21-17(12)23-18/h3-6,8,16,20,24H,1-2H3,(H,21,22,23)
InChIKeyIPJXGNWKRABQIP-UHFFFAOYSA-N
MW333.35 g/mol
LogP2.71
Rot. Bonds3

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

2-[hydroxy-(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile (PubChem CID 86282196) has the molecular formula C18H15N5O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is 2-[hydroxy-(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile.

Molecular Properties

Compound Name2-[hydroxy-(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile
PubChem CID86282196
Molecular FormulaC18H15N5O2
Molecular Weight333.35 g/mol
Exact Mass333.12
IUPAC Name2-[hydroxy-(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile
SMILESCOc1cc(C)c2[nH]ccc2c1C(O)c1nc2ncc(C#N)cc2[nH]1
InChIInChI=1S/C18H15N5O2/c1-9-5-13(25-2)14(11-3-4-20-15(9)11)16(24)18-22-12-6-10(7-19)8-21-17(12)23-18/h3-6,8,16,20,24H,1-2H3,(H,21,22,23)
InChIKeyIPJXGNWKRABQIP-UHFFFAOYSA-N
XLogP2.71
TPSA110.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[hydroxy-(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile?
The IUPAC name of 2-[hydroxy-(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile (CID 86282196) is 2-[hydroxy-(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile.
What is the SMILES notation for 2-[hydroxy-(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile?
The canonical SMILES for 2-[hydroxy-(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile is COc1cc(C)c2[nH]ccc2c1C(O)c1nc2ncc(C#N)cc2[nH]1.
What is the InChIKey of 2-[hydroxy-(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile?
The InChIKey is IPJXGNWKRABQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2/c1-9-5-13(25-2)14(11-3-4-20-15(9)11)16(24)18-22-12-6-10(7-19)8-21-17(12)23-18/h3-6,8,16,20,24H,1-2H3,(H,21,22,23).
What are the key properties of 2-[hydroxy-(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile?
2-[hydroxy-(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile has a molecular weight of 333.35 g/mol, XLogP of 2.71, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxy-(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile is sourced from PubChem (CID 86282196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).