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

C19H17N5O2 — CID 86282197

IUPAC2-[1-hydroxy-1-(5-methoxy-7-methyl-1H-indol-4-yl)ethyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile
SMILESCOc1cc(C)c2[nH]ccc2c1C(C)(O)c1nc2ncc(C#N)cc2[nH]1
InChIInChI=1S/C19H17N5O2/c1-10-6-14(26-3)15(12-4-5-21-16(10)12)19(2,25)18-23-13-7-11(8-20)9-22-17(13)24-18/h4-7,9,21,25H,1-3H3,(H,22,23,24)
InChIKeyAHFQPZOOGADZHL-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.88
Rot. Bonds3

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

2-[1-hydroxy-1-(5-methoxy-7-methyl-1H-indol-4-yl)ethyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile (PubChem CID 86282197) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 2-[1-hydroxy-1-(5-methoxy-7-methyl-1H-indol-4-yl)ethyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile.

Molecular Properties

Compound Name2-[1-hydroxy-1-(5-methoxy-7-methyl-1H-indol-4-yl)ethyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile
PubChem CID86282197
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Name2-[1-hydroxy-1-(5-methoxy-7-methyl-1H-indol-4-yl)ethyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile
SMILESCOc1cc(C)c2[nH]ccc2c1C(C)(O)c1nc2ncc(C#N)cc2[nH]1
InChIInChI=1S/C19H17N5O2/c1-10-6-14(26-3)15(12-4-5-21-16(10)12)19(2,25)18-23-13-7-11(8-20)9-22-17(13)24-18/h4-7,9,21,25H,1-3H3,(H,22,23,24)
InChIKeyAHFQPZOOGADZHL-UHFFFAOYSA-N
XLogP2.88
TPSA110.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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
2-(2-(5-Methoxy-7-methyl-1H-indol-4-yl)propan-2-yl)-3H-imidazo[4,5-b]pyridine-6-carbonitrile
CID 86282201
3-[4-[2-(5-methoxy-1H-indol-3-yl)ethylamino]pyrimidin-2-yl]benzonitrile
CID 3233106
3-(6-methoxy-2,3-dihydro-1H-isoindol-5-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[1,2-a]pyridine
CID 145977386
N-[(3-bromo-5-methoxy-1H-indol-7-yl)methyl]-N'-(1H-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine
CID 10432767
(+/-)-2-(1-Amino-2,2,2-trifluoro-1-(5-methoxy-7-methyl-1H-indol-4-yl)ethyl)-3H-imidazo[4,5-b]pyridine-6-carbonitrile
CID 86282195
(+/-)-2-(Hydroxy(5-methoxy-7-methyl-1H-indol-4-yl)methyl)-1H-imidazo[4,5-b]pyridine-6-carbonitrile
CID 86282196
(+/-)-2-(2,2,2-Trifluoro-1-(5-methoxy-7-methyl-1H-indol-4-yl)-1-(methylamino)ethyl)-3H-imidazo[4,5-b]pyridine-6-carbonitrile
CID 86282198
2-[1-amino-1-(5-methoxy-7-methyl-1H-indol-4-yl)ethyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile
CID 86282199
(+/-)-2-(1-(5-Methoxy-7-methyl-1H-indol-4-yl)-1-(methylamino)ethyl)-3H-imidazo[4,5-b]pyridine-6-carbonitrile
CID 86282200
(+/-)-2-(1-(5-Ethyl-7-methyl-1H-indol-4-yl)-2,2,2-trifluoro-1-hydroxyethyl)-3H-imidazo[4,5-b]pyridine-6-carbonitrile
CID 86282340

Frequently Asked Questions

What is the IUPAC name of 2-[1-hydroxy-1-(5-methoxy-7-methyl-1H-indol-4-yl)ethyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile?
The IUPAC name of 2-[1-hydroxy-1-(5-methoxy-7-methyl-1H-indol-4-yl)ethyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile (CID 86282197) is 2-[1-hydroxy-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-hydroxy-1-(5-methoxy-7-methyl-1H-indol-4-yl)ethyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile?
The canonical SMILES for 2-[1-hydroxy-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)(O)c1nc2ncc(C#N)cc2[nH]1.
What is the InChIKey of 2-[1-hydroxy-1-(5-methoxy-7-methyl-1H-indol-4-yl)ethyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile?
The InChIKey is AHFQPZOOGADZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-10-6-14(26-3)15(12-4-5-21-16(10)12)19(2,25)18-23-13-7-11(8-20)9-22-17(13)24-18/h4-7,9,21,25H,1-3H3,(H,22,23,24).
What are the key properties of 2-[1-hydroxy-1-(5-methoxy-7-methyl-1H-indol-4-yl)ethyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile?
2-[1-hydroxy-1-(5-methoxy-7-methyl-1H-indol-4-yl)ethyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile has a molecular weight of 347.38 g/mol, XLogP of 2.88, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-hydroxy-1-(5-methoxy-7-methyl-1H-indol-4-yl)ethyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile is sourced from PubChem (CID 86282197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).