(5S)-4-amino-5-(4-fluorophenyl)-2-[8-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one

C25H18F2N8O — CID 121348154

IUPAC(5S)-4-amino-5-(4-fluorophenyl)-2-[8-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESC[C@@]1(c2ccc(F)cc2)C(=O)Nc2nc(-c3cn4ncnc4c(Cc4ccc(F)cc4)n3)nc(N)c21
InChIInChI=1S/C25H18F2N8O/c1-25(14-4-8-16(27)9-5-14)19-20(28)32-21(33-22(19)34-24(25)36)18-11-35-23(29-12-30-35)17(31-18)10-13-2-6-15(26)7-3-13/h2-9,11-12H,10H2,1H3,(H3,28,32,33,34,36)/t25-/m0/s1
InChIKeySVGKONLUXXYSDL-VWLOTQADSA-N
MW484.47 g/mol
LogP3.29
Rot. Bonds4

About (5S)-4-amino-5-(4-fluorophenyl)-2-[8-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one

(5S)-4-amino-5-(4-fluorophenyl)-2-[8-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 121348154) has the molecular formula C25H18F2N8O and a molecular weight of 484.47 g/mol. Its IUPAC name is (5S)-4-amino-5-(4-fluorophenyl)-2-[8-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name(5S)-4-amino-5-(4-fluorophenyl)-2-[8-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
PubChem CID121348154
Molecular FormulaC25H18F2N8O
Molecular Weight484.47 g/mol
Exact Mass484.16
IUPAC Name(5S)-4-amino-5-(4-fluorophenyl)-2-[8-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESC[C@@]1(c2ccc(F)cc2)C(=O)Nc2nc(-c3cn4ncnc4c(Cc4ccc(F)cc4)n3)nc(N)c21
InChIInChI=1S/C25H18F2N8O/c1-25(14-4-8-16(27)9-5-14)19-20(28)32-21(33-22(19)34-24(25)36)18-11-35-23(29-12-30-35)17(31-18)10-13-2-6-15(26)7-3-13/h2-9,11-12H,10H2,1H3,(H3,28,32,33,34,36)/t25-/m0/s1
InChIKeySVGKONLUXXYSDL-VWLOTQADSA-N
XLogP3.29
TPSA123.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.47
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (5S)-4-amino-5-(4-fluorophenyl)-2-[8-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one with MolForge

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Launch Full Analysis

Related Compounds

4-amino-5-(4-fluorophenyl)-5-methyl-2-[8-(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 121348348
4-amino-2-(8-butyl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-5-(4-chlorophenyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 121348374
4-amino-5-(4-fluorophenyl)-2-[8-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 118566965
4-amino-2-[8-(cyclobutylmethyl)imidazo[1,2-a]pyrazin-6-yl]-5-(4-fluorophenyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 118567192
(5S)-5-(4-fluorophenyl)-5-methyl-2-(8-propyl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione
CID 137105674
4-amino-5-(4-fluorophenyl)-5-methyl-2-[8-(3-phenylpropyl)imidazo[1,2-a]pyrazin-6-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 118566922
(5S)-4-amino-2-(8-butyl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-5-methyl-5-(4-oxo-1H-pyridin-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 145404309
4-amino-2-[3-chloro-8-(3,3,4,4,4-pentafluorobutyl)imidazo[1,2-a]pyrazin-6-yl]-5-(4-fluorophenyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 118567058
6-[4-amino-5-(4-fluorophenyl)-5-methyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidin-2-yl]-8-(3,3,4,4,4-pentafluorobutyl)imidazo[1,2-a]pyrazine-2-carbonitrile
CID 129021751
4-amino-5-(4-fluorophenyl)-5-methyl-2-(8-pentan-2-yloxyimidazo[1,2-a]pyrazin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 134539078
(5S)-4-amino-5-(4-chloro-3-fluoro-5-hydroxyphenyl)-2-[8-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 145404337
(5S)-4-amino-5-(4-fluoro-3-hydroxyphenyl)-2-[8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 145404344

Frequently Asked Questions

What is the IUPAC name of (5S)-4-amino-5-(4-fluorophenyl)-2-[8-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of (5S)-4-amino-5-(4-fluorophenyl)-2-[8-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one (CID 121348154) is (5S)-4-amino-5-(4-fluorophenyl)-2-[8-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for (5S)-4-amino-5-(4-fluorophenyl)-2-[8-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for (5S)-4-amino-5-(4-fluorophenyl)-2-[8-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one is C[C@@]1(c2ccc(F)cc2)C(=O)Nc2nc(-c3cn4ncnc4c(Cc4ccc(F)cc4)n3)nc(N)c21.
What is the InChIKey of (5S)-4-amino-5-(4-fluorophenyl)-2-[8-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is SVGKONLUXXYSDL-VWLOTQADSA-N. The full InChI is InChI=1S/C25H18F2N8O/c1-25(14-4-8-16(27)9-5-14)19-20(28)32-21(33-22(19)34-24(25)36)18-11-35-23(29-12-30-35)17(31-18)10-13-2-6-15(26)7-3-13/h2-9,11-12H,10H2,1H3,(H3,28,32,33,34,36)/t25-/m0/s1.
What are the key properties of (5S)-4-amino-5-(4-fluorophenyl)-2-[8-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one?
(5S)-4-amino-5-(4-fluorophenyl)-2-[8-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 484.47 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-4-amino-5-(4-fluorophenyl)-2-[8-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 121348154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).