2-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-4,6-dimethylpyridine-3-carbonitrile

C20H19N5O — CID 165419732

IUPAC2-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(N2Cc3[nH]cnc3C(c3cccc(O)c3)C2)n1
InChIInChI=1S/C20H19N5O/c1-12-6-13(2)24-20(16(12)8-21)25-9-17(14-4-3-5-15(26)7-14)19-18(10-25)22-11-23-19/h3-7,11,17,26H,9-10H2,1-2H3,(H,22,23)
InChIKeyIGECMFXOUJLSBN-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.15
Rot. Bonds2

About 2-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-4,6-dimethylpyridine-3-carbonitrile

2-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-4,6-dimethylpyridine-3-carbonitrile (PubChem CID 165419732) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is 2-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-4,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-4,6-dimethylpyridine-3-carbonitrile
PubChem CID165419732
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name2-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(N2Cc3[nH]cnc3C(c3cccc(O)c3)C2)n1
InChIInChI=1S/C20H19N5O/c1-12-6-13(2)24-20(16(12)8-21)25-9-17(14-4-3-5-15(26)7-14)19-18(10-25)22-11-23-19/h3-7,11,17,26H,9-10H2,1-2H3,(H,22,23)
InChIKeyIGECMFXOUJLSBN-UHFFFAOYSA-N
XLogP3.15
TPSA88.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-4,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 2-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-4,6-dimethylpyridine-3-carbonitrile (CID 165419732) is 2-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-4,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-4,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-4,6-dimethylpyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(N2Cc3[nH]cnc3C(c3cccc(O)c3)C2)n1.
What is the InChIKey of 2-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-4,6-dimethylpyridine-3-carbonitrile?
The InChIKey is IGECMFXOUJLSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-12-6-13(2)24-20(16(12)8-21)25-9-17(14-4-3-5-15(26)7-14)19-18(10-25)22-11-23-19/h3-7,11,17,26H,9-10H2,1-2H3,(H,22,23).
What are the key properties of 2-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-4,6-dimethylpyridine-3-carbonitrile?
2-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-4,6-dimethylpyridine-3-carbonitrile has a molecular weight of 345.41 g/mol, XLogP of 3.15, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-4,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 165419732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).