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

C21H19N5O — CID 86282343

IUPAC2-[1-(5-cyclopropyl-7-methyl-1H-indol-4-yl)-1-hydroxyethyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile
SMILESCc1cc(C2CC2)c(C(C)(O)c2nc3ncc(C#N)cc3[nH]2)c2cc[nH]c12
InChIInChI=1S/C21H19N5O/c1-11-7-15(13-3-4-13)17(14-5-6-23-18(11)14)21(2,27)20-25-16-8-12(9-22)10-24-19(16)26-20/h5-8,10,13,23,27H,3-4H2,1-2H3,(H,24,25,26)
InChIKeyUEWBFGZWVFPGQW-UHFFFAOYSA-N
MW357.42 g/mol
LogP3.75
Rot. Bonds3

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

2-[1-(5-cyclopropyl-7-methyl-1H-indol-4-yl)-1-hydroxyethyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile (PubChem CID 86282343) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is 2-[1-(5-cyclopropyl-7-methyl-1H-indol-4-yl)-1-hydroxyethyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile.

Molecular Properties

Compound Name2-[1-(5-cyclopropyl-7-methyl-1H-indol-4-yl)-1-hydroxyethyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile
PubChem CID86282343
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC Name2-[1-(5-cyclopropyl-7-methyl-1H-indol-4-yl)-1-hydroxyethyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile
SMILESCc1cc(C2CC2)c(C(C)(O)c2nc3ncc(C#N)cc3[nH]2)c2cc[nH]c12
InChIInChI=1S/C21H19N5O/c1-11-7-15(13-3-4-13)17(14-5-6-23-18(11)14)21(2,27)20-25-16-8-12(9-22)10-24-19(16)26-20/h5-8,10,13,23,27H,3-4H2,1-2H3,(H,24,25,26)
InChIKeyUEWBFGZWVFPGQW-UHFFFAOYSA-N
XLogP3.75
TPSA101.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-cyclopropyl-7-methyl-1H-indol-4-yl)-1-hydroxyethyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile?
The IUPAC name of 2-[1-(5-cyclopropyl-7-methyl-1H-indol-4-yl)-1-hydroxyethyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile (CID 86282343) is 2-[1-(5-cyclopropyl-7-methyl-1H-indol-4-yl)-1-hydroxyethyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile.
What is the SMILES notation for 2-[1-(5-cyclopropyl-7-methyl-1H-indol-4-yl)-1-hydroxyethyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile?
The canonical SMILES for 2-[1-(5-cyclopropyl-7-methyl-1H-indol-4-yl)-1-hydroxyethyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile is Cc1cc(C2CC2)c(C(C)(O)c2nc3ncc(C#N)cc3[nH]2)c2cc[nH]c12.
What is the InChIKey of 2-[1-(5-cyclopropyl-7-methyl-1H-indol-4-yl)-1-hydroxyethyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile?
The InChIKey is UEWBFGZWVFPGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O/c1-11-7-15(13-3-4-13)17(14-5-6-23-18(11)14)21(2,27)20-25-16-8-12(9-22)10-24-19(16)26-20/h5-8,10,13,23,27H,3-4H2,1-2H3,(H,24,25,26).
What are the key properties of 2-[1-(5-cyclopropyl-7-methyl-1H-indol-4-yl)-1-hydroxyethyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile?
2-[1-(5-cyclopropyl-7-methyl-1H-indol-4-yl)-1-hydroxyethyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile has a molecular weight of 357.42 g/mol, XLogP of 3.75, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-cyclopropyl-7-methyl-1H-indol-4-yl)-1-hydroxyethyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile is sourced from PubChem (CID 86282343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).