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

C19H18N6O — CID 86282199

IUPAC2-[1-amino-1-(5-methoxy-7-methyl-1H-indol-4-yl)ethyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile
SMILESCOc1cc(C)c2[nH]ccc2c1C(C)(N)c1nc2ncc(C#N)cc2[nH]1
InChIInChI=1S/C19H18N6O/c1-10-6-14(26-3)15(12-4-5-22-16(10)12)19(2,21)18-24-13-7-11(8-20)9-23-17(13)25-18/h4-7,9,22H,21H2,1-3H3,(H,23,24,25)
InChIKeyWSWGHGKCTBFCRQ-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.85
Rot. Bonds3

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

2-[1-amino-1-(5-methoxy-7-methyl-1H-indol-4-yl)ethyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile (PubChem CID 86282199) has the molecular formula C19H18N6O and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-[1-amino-1-(5-methoxy-7-methyl-1H-indol-4-yl)ethyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile.

Molecular Properties

Compound Name2-[1-amino-1-(5-methoxy-7-methyl-1H-indol-4-yl)ethyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile
PubChem CID86282199
Molecular FormulaC19H18N6O
Molecular Weight346.39 g/mol
Exact Mass346.15
IUPAC Name2-[1-amino-1-(5-methoxy-7-methyl-1H-indol-4-yl)ethyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile
SMILESCOc1cc(C)c2[nH]ccc2c1C(C)(N)c1nc2ncc(C#N)cc2[nH]1
InChIInChI=1S/C19H18N6O/c1-10-6-14(26-3)15(12-4-5-22-16(10)12)19(2,21)18-24-13-7-11(8-20)9-23-17(13)25-18/h4-7,9,22H,21H2,1-3H3,(H,23,24,25)
InChIKeyWSWGHGKCTBFCRQ-UHFFFAOYSA-N
XLogP2.85
TPSA116.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-amino-1-(5-methoxy-7-methyl-1H-indol-4-yl)ethyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile?
The IUPAC name of 2-[1-amino-1-(5-methoxy-7-methyl-1H-indol-4-yl)ethyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile (CID 86282199) is 2-[1-amino-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-amino-1-(5-methoxy-7-methyl-1H-indol-4-yl)ethyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile?
The canonical SMILES for 2-[1-amino-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)(N)c1nc2ncc(C#N)cc2[nH]1.
What is the InChIKey of 2-[1-amino-1-(5-methoxy-7-methyl-1H-indol-4-yl)ethyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile?
The InChIKey is WSWGHGKCTBFCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O/c1-10-6-14(26-3)15(12-4-5-22-16(10)12)19(2,21)18-24-13-7-11(8-20)9-23-17(13)25-18/h4-7,9,22H,21H2,1-3H3,(H,23,24,25).
What are the key properties of 2-[1-amino-1-(5-methoxy-7-methyl-1H-indol-4-yl)ethyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile?
2-[1-amino-1-(5-methoxy-7-methyl-1H-indol-4-yl)ethyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile has a molecular weight of 346.39 g/mol, XLogP of 2.85, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-amino-1-(5-methoxy-7-methyl-1H-indol-4-yl)ethyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile is sourced from PubChem (CID 86282199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).