7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-[2-(methylamino)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

C23H18F2N8 — CID 146490637

IUPAC7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-[2-(methylamino)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESCNc1cc(-c2c(-c3ccc(F)cc3)nc(N)n3nc(Cc4ncccc4F)nc23)ccn1
InChIInChI=1S/C23H18F2N8/c1-27-18-11-14(8-10-29-18)20-21(13-4-6-15(24)7-5-13)31-23(26)33-22(20)30-19(32-33)12-17-16(25)3-2-9-28-17/h2-11H,12H2,1H3,(H2,26,31)(H,27,29)
InChIKeyRTSQOFJTMVEJNQ-UHFFFAOYSA-N
MW444.45 g/mol
LogP3.74
Rot. Bonds5

About 7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-[2-(methylamino)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-[2-(methylamino)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (PubChem CID 146490637) has the molecular formula C23H18F2N8 and a molecular weight of 444.45 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-[2-(methylamino)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.

Molecular Properties

Compound Name7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-[2-(methylamino)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
PubChem CID146490637
Molecular FormulaC23H18F2N8
Molecular Weight444.45 g/mol
Exact Mass444.16
IUPAC Name7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-[2-(methylamino)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESCNc1cc(-c2c(-c3ccc(F)cc3)nc(N)n3nc(Cc4ncccc4F)nc23)ccn1
InChIInChI=1S/C23H18F2N8/c1-27-18-11-14(8-10-29-18)20-21(13-4-6-15(24)7-5-13)31-23(26)33-22(20)30-19(32-33)12-17-16(25)3-2-9-28-17/h2-11H,12H2,1H3,(H2,26,31)(H,27,29)
InChIKeyRTSQOFJTMVEJNQ-UHFFFAOYSA-N
XLogP3.74
TPSA106.91 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.45
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-[2-(methylamino)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine with MolForge

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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
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
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
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
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
5-[5-amino-7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-methylpyridin-2-one;8-bromo-7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;methane;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one
CID 159980842
3-[5-amino-8-bromo-2-[(3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile
CID 139508800
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
5-[5-amino-2-[(3-chloro-2-pyridinyl)methyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-methylpyridin-2-one
CID 156821431
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-(3-methylbenzimidazol-5-yl)-2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 146490622
5-[5-amino-2-[(2,6-difluorophenyl)methyl]-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-(1,1-dihydroxythietan-3-yl)pyridin-2-one
CID 155210446

Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-[2-(methylamino)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The IUPAC name of 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) is 7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-[2-(methylamino)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.
What is the SMILES notation for 7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-[2-(methylamino)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The canonical SMILES for 7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-[2-(methylamino)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is CNc1cc(-c2c(-c3ccc(F)cc3)nc(N)n3nc(Cc4ncccc4F)nc23)ccn1.
What is the InChIKey of 7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-[2-(methylamino)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The InChIKey is RTSQOFJTMVEJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N8/c1-27-18-11-14(8-10-29-18)20-21(13-4-6-15(24)7-5-13)31-23(26)33-22(20)30-19(32-33)12-17-16(25)3-2-9-28-17/h2-11H,12H2,1H3,(H2,26,31)(H,27,29).
What are the key properties of 7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-[2-(methylamino)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-[2-(methylamino)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine has a molecular weight of 444.45 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-[2-(methylamino)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 146490637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).