5-[(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-2-(4-methylimidazol-1-yl)benzonitrile

C18H15N7O — CID 67336644

IUPAC5-[(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-2-(4-methylimidazol-1-yl)benzonitrile
SMILESCOc1cccn2nc(Nc3ccc(-n4cnc(C)c4)c(C#N)c3)nc12
InChIInChI=1S/C18H15N7O/c1-12-10-24(11-20-12)15-6-5-14(8-13(15)9-19)21-18-22-17-16(26-2)4-3-7-25(17)23-18/h3-8,10-11H,1-2H3,(H,21,23)
InChIKeyBDFHSAUEFDLKLP-UHFFFAOYSA-N
MW345.37 g/mol
LogP2.85
Rot. Bonds4

About 5-[(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-2-(4-methylimidazol-1-yl)benzonitrile

5-[(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-2-(4-methylimidazol-1-yl)benzonitrile (PubChem CID 67336644) has the molecular formula C18H15N7O and a molecular weight of 345.37 g/mol. Its IUPAC name is 5-[(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-2-(4-methylimidazol-1-yl)benzonitrile.

Molecular Properties

Compound Name5-[(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-2-(4-methylimidazol-1-yl)benzonitrile
PubChem CID67336644
Molecular FormulaC18H15N7O
Molecular Weight345.37 g/mol
Exact Mass345.13
IUPAC Name5-[(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-2-(4-methylimidazol-1-yl)benzonitrile
SMILESCOc1cccn2nc(Nc3ccc(-n4cnc(C)c4)c(C#N)c3)nc12
InChIInChI=1S/C18H15N7O/c1-12-10-24(11-20-12)15-6-5-14(8-13(15)9-19)21-18-22-17-16(26-2)4-3-7-25(17)23-18/h3-8,10-11H,1-2H3,(H,21,23)
InChIKeyBDFHSAUEFDLKLP-UHFFFAOYSA-N
XLogP2.85
TPSA93.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

8-(4-fluoropiperidin-1-yl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 53340581
2-[4-[2-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl]phenyl]acetonitrile
CID 53339675
5-[[8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-(4-methylimidazol-1-yl)benzonitrile
CID 70876542
8-(4-fluoro-2-methylphenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 53339454
8-(3,4-difluorophenyl)-6-fluoro-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 53339677
4,6-dichloro-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3,5-triazin-2-amine
CID 87317448
5-[[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]amino]-2-(4-methylimidazol-1-yl)benzonitrile
CID 46216250
8-(2-chloro-4-fluorophenyl)-N-[3-fluoro-5-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 53340122
3-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1H-1,2,4-triazole-3,5-diamine
CID 67334334
6-cyclopropyl-8-(3,4-difluorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 53340703
N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-(1-phenylethyl)-1,2,4-triazol-3-amine
CID 46214071
N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6-methyl-8-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 53339786

Frequently Asked Questions

What is the IUPAC name of 5-[(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-2-(4-methylimidazol-1-yl)benzonitrile?
The IUPAC name of 5-[(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-2-(4-methylimidazol-1-yl)benzonitrile (CID 67336644) is 5-[(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-2-(4-methylimidazol-1-yl)benzonitrile.
What is the SMILES notation for 5-[(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-2-(4-methylimidazol-1-yl)benzonitrile?
The canonical SMILES for 5-[(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-2-(4-methylimidazol-1-yl)benzonitrile is COc1cccn2nc(Nc3ccc(-n4cnc(C)c4)c(C#N)c3)nc12.
What is the InChIKey of 5-[(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-2-(4-methylimidazol-1-yl)benzonitrile?
The InChIKey is BDFHSAUEFDLKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N7O/c1-12-10-24(11-20-12)15-6-5-14(8-13(15)9-19)21-18-22-17-16(26-2)4-3-7-25(17)23-18/h3-8,10-11H,1-2H3,(H,21,23).
What are the key properties of 5-[(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-2-(4-methylimidazol-1-yl)benzonitrile?
5-[(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-2-(4-methylimidazol-1-yl)benzonitrile has a molecular weight of 345.37 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-2-(4-methylimidazol-1-yl)benzonitrile is sourced from PubChem (CID 67336644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).