2-[5-amino-8-(2,6-dimethyl-4-pyridinyl)-2-[(3,6-dimethyl-2-pyridinyl)methoxy]-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile

C27H24N8O — CID 175743349

IUPAC2-[5-amino-8-(2,6-dimethyl-4-pyridinyl)-2-[(3,6-dimethyl-2-pyridinyl)methoxy]-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile
SMILESCc1cc(-c2c(-c3ccccc3C#N)nc(N)n3nc(OCc4nc(C)ccc4C)nc23)cc(C)n1
InChIInChI=1S/C27H24N8O/c1-15-9-10-16(2)31-22(15)14-36-27-33-25-23(20-11-17(3)30-18(4)12-20)24(32-26(29)35(25)34-27)21-8-6-5-7-19(21)13-28/h5-12H,14H2,1-4H3,(H2,29,32)
InChIKeySUFQRLOARSXNCC-UHFFFAOYSA-N
MW476.54 g/mol
LogP4.51
Rot. Bonds5

About 2-[5-amino-8-(2,6-dimethyl-4-pyridinyl)-2-[(3,6-dimethyl-2-pyridinyl)methoxy]-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile

2-[5-amino-8-(2,6-dimethyl-4-pyridinyl)-2-[(3,6-dimethyl-2-pyridinyl)methoxy]-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile (PubChem CID 175743349) has the molecular formula C27H24N8O and a molecular weight of 476.54 g/mol. Its IUPAC name is 2-[5-amino-8-(2,6-dimethyl-4-pyridinyl)-2-[(3,6-dimethyl-2-pyridinyl)methoxy]-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile.

Molecular Properties

Compound Name2-[5-amino-8-(2,6-dimethyl-4-pyridinyl)-2-[(3,6-dimethyl-2-pyridinyl)methoxy]-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile
PubChem CID175743349
Molecular FormulaC27H24N8O
Molecular Weight476.54 g/mol
Exact Mass476.21
IUPAC Name2-[5-amino-8-(2,6-dimethyl-4-pyridinyl)-2-[(3,6-dimethyl-2-pyridinyl)methoxy]-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile
SMILESCc1cc(-c2c(-c3ccccc3C#N)nc(N)n3nc(OCc4nc(C)ccc4C)nc23)cc(C)n1
InChIInChI=1S/C27H24N8O/c1-15-9-10-16(2)31-22(15)14-36-27-33-25-23(20-11-17(3)30-18(4)12-20)24(32-26(29)35(25)34-27)21-8-6-5-7-19(21)13-28/h5-12H,14H2,1-4H3,(H2,29,32)
InChIKeySUFQRLOARSXNCC-UHFFFAOYSA-N
XLogP4.51
TPSA127.90 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.54
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[5-amino-8-(2,6-dimethyl-4-pyridinyl)-2-[(3,6-dimethyl-2-pyridinyl)methoxy]-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile with MolForge

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Related Compounds

2-[5-amino-2-[(3-fluoro-2-pyridinyl)methoxy]-8-(2-methoxy-6-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile
CID 175743337
2-[5-amino-8-(1-ethyl-6-oxo-3-pyridinyl)-2-[(3-methyl-2-pyridinyl)methylamino]-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile
CID 175743325
2-[5-amino-8-(1-methyl-6-oxopyridazin-3-yl)-2-[(6-methyl-2-pyridinyl)methylamino]-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile
CID 175743346
8-(2-chloro-6-methyl-4-pyridinyl)-2-methyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 146387201
3-[5-amino-8-(2-methoxy-6-methyl-4-pyridinyl)-2-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile
CID 139508728
2-[3-(2-chloro-6-methyl-4-pyridinyl)-5-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyrimidin-2-yl]benzonitrile
CID 175885637
2-[5-amino-2-(pyridin-2-ylamino)-8-pyrimidin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile
CID 175743326
2-[5-amino-8-(1-methyl-6-oxopyridazin-3-yl)-2-(pyridin-2-ylamino)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile
CID 175743348
8-(2,6-dimethyl-4-pyridinyl)-7-(4-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 146387154
2-[3-(2-chloro-6-methyl-4-pyridinyl)-5-(3-hydroxy-3-methylbutyl)pyrazolo[1,5-a]pyrimidin-2-yl]benzonitrile
CID 175885577
8-(2,6-dimethyl-4-pyridinyl)-2-methyl-7-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 158544721
2-(3-amino-6-bromo-8-methylimidazo[1,2-a]pyridin-2-yl)benzonitrile
CID 107936784

Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-8-(2,6-dimethyl-4-pyridinyl)-2-[(3,6-dimethyl-2-pyridinyl)methoxy]-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile?
The IUPAC name of 2-[5-amino-8-(2,6-dimethyl-4-pyridinyl)-2-[(3,6-dimethyl-2-pyridinyl)methoxy]-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile (CID 175743349) is 2-[5-amino-8-(2,6-dimethyl-4-pyridinyl)-2-[(3,6-dimethyl-2-pyridinyl)methoxy]-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile.
What is the SMILES notation for 2-[5-amino-8-(2,6-dimethyl-4-pyridinyl)-2-[(3,6-dimethyl-2-pyridinyl)methoxy]-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile?
The canonical SMILES for 2-[5-amino-8-(2,6-dimethyl-4-pyridinyl)-2-[(3,6-dimethyl-2-pyridinyl)methoxy]-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile is Cc1cc(-c2c(-c3ccccc3C#N)nc(N)n3nc(OCc4nc(C)ccc4C)nc23)cc(C)n1.
What is the InChIKey of 2-[5-amino-8-(2,6-dimethyl-4-pyridinyl)-2-[(3,6-dimethyl-2-pyridinyl)methoxy]-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile?
The InChIKey is SUFQRLOARSXNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N8O/c1-15-9-10-16(2)31-22(15)14-36-27-33-25-23(20-11-17(3)30-18(4)12-20)24(32-26(29)35(25)34-27)21-8-6-5-7-19(21)13-28/h5-12H,14H2,1-4H3,(H2,29,32).
What are the key properties of 2-[5-amino-8-(2,6-dimethyl-4-pyridinyl)-2-[(3,6-dimethyl-2-pyridinyl)methoxy]-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile?
2-[5-amino-8-(2,6-dimethyl-4-pyridinyl)-2-[(3,6-dimethyl-2-pyridinyl)methoxy]-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile has a molecular weight of 476.54 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-8-(2,6-dimethyl-4-pyridinyl)-2-[(3,6-dimethyl-2-pyridinyl)methoxy]-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile is sourced from PubChem (CID 175743349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).