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

C26H19F2N7O — CID 118566965

IUPAC4-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
SMILESCC1(c2ccc(F)cc2)C(=O)Nc2nc(-c3cn4ccnc4c(Cc4cccc(F)c4)n3)nc(N)c21
InChIInChI=1S/C26H19F2N7O/c1-26(15-5-7-16(27)8-6-15)20-21(29)32-22(33-23(20)34-25(26)36)19-13-35-10-9-30-24(35)18(31-19)12-14-3-2-4-17(28)11-14/h2-11,13H,12H2,1H3,(H3,29,32,33,34,36)
InChIKeyZJMAWETXMDSRNS-UHFFFAOYSA-N
MW483.48 g/mol
LogP3.90
Rot. Bonds4

About 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

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 (PubChem CID 118566965) has the molecular formula C26H19F2N7O and a molecular weight of 483.48 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID118566965
Molecular FormulaC26H19F2N7O
Molecular Weight483.48 g/mol
Exact Mass483.16
IUPAC Name4-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
SMILESCC1(c2ccc(F)cc2)C(=O)Nc2nc(-c3cn4ccnc4c(Cc4cccc(F)c4)n3)nc(N)c21
InChIInChI=1S/C26H19F2N7O/c1-26(15-5-7-16(27)8-6-15)20-21(29)32-22(33-23(20)34-25(26)36)19-13-35-10-9-30-24(35)18(31-19)12-14-3-2-4-17(28)11-14/h2-11,13H,12H2,1H3,(H3,29,32,33,34,36)
InChIKeyZJMAWETXMDSRNS-UHFFFAOYSA-N
XLogP3.90
TPSA111.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.48
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(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
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
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
4-amino-5-[3-[tert-butyl(dimethyl)silyl]oxy-4-methylphenyl]-2-[8-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 145404333
4-amino-5-(4-fluorophenyl)-2-[8-[1-(3-fluorophenyl)ethyl]imidazo[1,2-a]pyrazin-6-yl]-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 146304752
(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
(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
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
4-amino-5-(5-fluoro-2-pyridinyl)-5-methyl-2-[8-(2-methylpropyl)imidazo[1,2-a]pyrazin-6-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 118567182
4-amino-5-methyl-2-[8-(3,3,4,4,4-pentafluorobutyl)imidazo[1,2-a]pyrazin-6-yl]-5-[4-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 118566171
4-amino-5-(4-iodophenyl)-5-methyl-2-[8-(3,3,4,4,4-pentafluorobutyl)imidazo[1,2-a]pyrazin-6-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 118567178
4-amino-2-[8-[(3-fluorophenyl)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazin-6-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 118566994

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(c2ccc(F)cc2)C(=O)Nc2nc(-c3cn4ccnc4c(Cc4cccc(F)c4)n3)nc(N)c21.
What is the InChIKey of 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?
The InChIKey is ZJMAWETXMDSRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F2N7O/c1-26(15-5-7-16(27)8-6-15)20-21(29)32-22(33-23(20)34-25(26)36)19-13-35-10-9-30-24(35)18(31-19)12-14-3-2-4-17(28)11-14/h2-11,13H,12H2,1H3,(H3,29,32,33,34,36).
What are the key properties of 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?
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 has a molecular weight of 483.48 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 118566965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).