5-[4-(1H-imidazo[4,5-c]pyridin-4-yloxy)-2-methylphenyl]-6-methylpyrimidine-4-carbonitrile

C19H14N6O — CID 118478158

IUPAC5-[4-(1H-imidazo[4,5-c]pyridin-4-yloxy)-2-methylphenyl]-6-methylpyrimidine-4-carbonitrile
SMILESCc1cc(Oc2nccc3[nH]cnc23)ccc1-c1c(C)ncnc1C#N
InChIInChI=1S/C19H14N6O/c1-11-7-13(26-19-18-15(5-6-21-19)23-10-25-18)3-4-14(11)17-12(2)22-9-24-16(17)8-20/h3-7,9-10H,1-2H3,(H,23,25)
InChIKeyUMAZSPWKQMTIHK-UHFFFAOYSA-N
MW342.36 g/mol
LogP3.70
Rot. Bonds3

About 5-[4-(1H-imidazo[4,5-c]pyridin-4-yloxy)-2-methylphenyl]-6-methylpyrimidine-4-carbonitrile

5-[4-(1H-imidazo[4,5-c]pyridin-4-yloxy)-2-methylphenyl]-6-methylpyrimidine-4-carbonitrile (PubChem CID 118478158) has the molecular formula C19H14N6O and a molecular weight of 342.36 g/mol. Its IUPAC name is 5-[4-(1H-imidazo[4,5-c]pyridin-4-yloxy)-2-methylphenyl]-6-methylpyrimidine-4-carbonitrile.

Molecular Properties

Compound Name5-[4-(1H-imidazo[4,5-c]pyridin-4-yloxy)-2-methylphenyl]-6-methylpyrimidine-4-carbonitrile
PubChem CID118478158
Molecular FormulaC19H14N6O
Molecular Weight342.36 g/mol
Exact Mass342.12
IUPAC Name5-[4-(1H-imidazo[4,5-c]pyridin-4-yloxy)-2-methylphenyl]-6-methylpyrimidine-4-carbonitrile
SMILESCc1cc(Oc2nccc3[nH]cnc23)ccc1-c1c(C)ncnc1C#N
InChIInChI=1S/C19H14N6O/c1-11-7-13(26-19-18-15(5-6-21-19)23-10-25-18)3-4-14(11)17-12(2)22-9-24-16(17)8-20/h3-7,9-10H,1-2H3,(H,23,25)
InChIKeyUMAZSPWKQMTIHK-UHFFFAOYSA-N
XLogP3.70
TPSA100.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Gdc-0425
CID 58266779
4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenoxy]-1H-pyrazolo[4,3-c]pyridine
CID 74223726
4-(2-(4-Cyanophenylamino)-5H-pyrrolo[3,2-d]pyrimidin-4-yloxy)-3,5-dimethylbenzonitrile
CID 11954403
N-(4-(3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-yloxy)naphthalen-1-yl)-1H-benzo[d]imidazol-2-amine
CID 24983495
6-Methyl-5-(2-methyl-4-pyrrolo[1,2-a]pyrazin-1-yloxyphenyl)imidazo[1,2-a]pyrazine
CID 92044504
8-Methoxy-4-propoxy-5H-pyrimido[5,4-b]indole
CID 2017372
N-(3-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}phenyl)pyrimidin-2-amine
CID 10288118
4-Butoxy-8-methoxy-5H-pyrimido[5,4-b]indole
CID 5122830
2-[2-(4-methoxy-2-pyridinyl)ethyl]-7-(2-phenylethoxy)-1H-imidazo[4,5-b]pyridine
CID 10172593
N-(4-(3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-yloxy)naphthalen-1-yl)-3H-imidazo[4,5-c]pyridin-2-amine
CID 24983298
N-(2,3-dimethyl-4-(3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-yloxy)phenyl)-1H-benzo[d]imidazol-2-amine
CID 24983384
N-(2-methyl-4-(3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-yloxy)phenyl)-1H-benzo[d]imidazol-2-amine
CID 24983399

Frequently Asked Questions

What is the IUPAC name of 5-[4-(1H-imidazo[4,5-c]pyridin-4-yloxy)-2-methylphenyl]-6-methylpyrimidine-4-carbonitrile?
The IUPAC name of 5-[4-(1H-imidazo[4,5-c]pyridin-4-yloxy)-2-methylphenyl]-6-methylpyrimidine-4-carbonitrile (CID 118478158) is 5-[4-(1H-imidazo[4,5-c]pyridin-4-yloxy)-2-methylphenyl]-6-methylpyrimidine-4-carbonitrile.
What is the SMILES notation for 5-[4-(1H-imidazo[4,5-c]pyridin-4-yloxy)-2-methylphenyl]-6-methylpyrimidine-4-carbonitrile?
The canonical SMILES for 5-[4-(1H-imidazo[4,5-c]pyridin-4-yloxy)-2-methylphenyl]-6-methylpyrimidine-4-carbonitrile is Cc1cc(Oc2nccc3[nH]cnc23)ccc1-c1c(C)ncnc1C#N.
What is the InChIKey of 5-[4-(1H-imidazo[4,5-c]pyridin-4-yloxy)-2-methylphenyl]-6-methylpyrimidine-4-carbonitrile?
The InChIKey is UMAZSPWKQMTIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N6O/c1-11-7-13(26-19-18-15(5-6-21-19)23-10-25-18)3-4-14(11)17-12(2)22-9-24-16(17)8-20/h3-7,9-10H,1-2H3,(H,23,25).
What are the key properties of 5-[4-(1H-imidazo[4,5-c]pyridin-4-yloxy)-2-methylphenyl]-6-methylpyrimidine-4-carbonitrile?
5-[4-(1H-imidazo[4,5-c]pyridin-4-yloxy)-2-methylphenyl]-6-methylpyrimidine-4-carbonitrile has a molecular weight of 342.36 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1H-imidazo[4,5-c]pyridin-4-yloxy)-2-methylphenyl]-6-methylpyrimidine-4-carbonitrile is sourced from PubChem (CID 118478158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).