6-[[5-amino-7-(4-fluorophenyl)-8-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methyl]pyridine-2-carbonitrile

C24H17FN8 — CID 146490861

IUPAC6-[[5-amino-7-(4-fluorophenyl)-8-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methyl]pyridine-2-carbonitrile
SMILESCc1cc(-c2c(-c3ccc(F)cc3)nc(N)n3nc(Cc4cccc(C#N)n4)nc23)ccn1
InChIInChI=1S/C24H17FN8/c1-14-11-16(9-10-28-14)21-22(15-5-7-17(25)8-6-15)31-24(27)33-23(21)30-20(32-33)12-18-3-2-4-19(13-26)29-18/h2-11H,12H2,1H3,(H2,27,31)
InChIKeyMBAGDVJWDLAXOU-UHFFFAOYSA-N
MW436.45 g/mol
LogP3.74
Rot. Bonds4

About 6-[[5-amino-7-(4-fluorophenyl)-8-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methyl]pyridine-2-carbonitrile

6-[[5-amino-7-(4-fluorophenyl)-8-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methyl]pyridine-2-carbonitrile (PubChem CID 146490861) has the molecular formula C24H17FN8 and a molecular weight of 436.45 g/mol. Its IUPAC name is 6-[[5-amino-7-(4-fluorophenyl)-8-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[[5-amino-7-(4-fluorophenyl)-8-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methyl]pyridine-2-carbonitrile
PubChem CID146490861
Molecular FormulaC24H17FN8
Molecular Weight436.45 g/mol
Exact Mass436.16
IUPAC Name6-[[5-amino-7-(4-fluorophenyl)-8-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methyl]pyridine-2-carbonitrile
SMILESCc1cc(-c2c(-c3ccc(F)cc3)nc(N)n3nc(Cc4cccc(C#N)n4)nc23)ccn1
InChIInChI=1S/C24H17FN8/c1-14-11-16(9-10-28-14)21-22(15-5-7-17(25)8-6-15)31-24(27)33-23(21)30-20(32-33)12-18-3-2-4-19(13-26)29-18/h2-11H,12H2,1H3,(H2,27,31)
InChIKeyMBAGDVJWDLAXOU-UHFFFAOYSA-N
XLogP3.74
TPSA118.67 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.45
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-[[5-amino-7-(4-fluorophenyl)-8-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methyl]pyridine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2,6-difluorophenyl)methyl]-8-(2,6-dimethyl-4-pyridinyl)-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 146490911
7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-[2-(methylamino)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 146490637
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-[(6-amino-2-pyridinyl)methyl]-7-(4-fluorophenyl)-8-imidazo[1,2-a]pyridin-6-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 146443662
7-(4-fluorophenyl)-8-imidazo[1,2-a]pyridin-6-yl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 146490680
2-[(5-fluoro-2-pyridinyl)methyl]-8-methyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 156821407
2-[(3E,5Z)-3-fluoro-2-methylidenehepta-3,5-dienyl]-7-(4-fluorophenyl)-8-[2-(methylamino)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 146490889
3-[5-amino-8-bromo-2-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile
CID 139508840
3-[5-amino-8-[4-(methoxymethyl)-2-methyl-1,3-oxazol-5-yl]-2-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile
CID 139508729
8-(2-chloro-6-methyl-4-pyridinyl)-2-[(3-fluoro-2-pyridinyl)methyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 146490611
7-(4-fluorophenyl)-8-(3-methylbenzimidazol-5-yl)-2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 146490622
8-[2-(difluoromethoxy)-6-methyl-4-pyridinyl]-2-[(3-fluoro-2-pyridinyl)methyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 155210450

Frequently Asked Questions

What is the IUPAC name of 6-[[5-amino-7-(4-fluorophenyl)-8-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methyl]pyridine-2-carbonitrile?
The IUPAC name of 6-[[5-amino-7-(4-fluorophenyl)-8-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methyl]pyridine-2-carbonitrile (CID 146490861) is 6-[[5-amino-7-(4-fluorophenyl)-8-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[[5-amino-7-(4-fluorophenyl)-8-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 6-[[5-amino-7-(4-fluorophenyl)-8-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methyl]pyridine-2-carbonitrile is Cc1cc(-c2c(-c3ccc(F)cc3)nc(N)n3nc(Cc4cccc(C#N)n4)nc23)ccn1.
What is the InChIKey of 6-[[5-amino-7-(4-fluorophenyl)-8-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methyl]pyridine-2-carbonitrile?
The InChIKey is MBAGDVJWDLAXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN8/c1-14-11-16(9-10-28-14)21-22(15-5-7-17(25)8-6-15)31-24(27)33-23(21)30-20(32-33)12-18-3-2-4-19(13-26)29-18/h2-11H,12H2,1H3,(H2,27,31).
What are the key properties of 6-[[5-amino-7-(4-fluorophenyl)-8-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methyl]pyridine-2-carbonitrile?
6-[[5-amino-7-(4-fluorophenyl)-8-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methyl]pyridine-2-carbonitrile has a molecular weight of 436.45 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-amino-7-(4-fluorophenyl)-8-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 146490861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).