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

C27H21F2N7O — CID 146304752

IUPAC4-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
SMILESCC(c1cccc(F)c1)c1nc(-c2nc(N)c3c(n2)NC(=O)C3(C)c2ccc(F)cc2)cn2ccnc12
InChIInChI=1S/C27H21F2N7O/c1-14(15-4-3-5-18(29)12-15)21-25-31-10-11-36(25)13-19(32-21)23-33-22(30)20-24(34-23)35-26(37)27(20,2)16-6-8-17(28)9-7-16/h3-14H,1-2H3,(H3,30,33,34,35,37)
InChIKeyUSZWPSCKXWDKJY-UHFFFAOYSA-N
MW497.51 g/mol
LogP4.46
Rot. Bonds4

About 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

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 (PubChem CID 146304752) has the molecular formula C27H21F2N7O and a molecular weight of 497.51 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID146304752
Molecular FormulaC27H21F2N7O
Molecular Weight497.51 g/mol
Exact Mass497.18
IUPAC Name4-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
SMILESCC(c1cccc(F)c1)c1nc(-c2nc(N)c3c(n2)NC(=O)C3(C)c2ccc(F)cc2)cn2ccnc12
InChIInChI=1S/C27H21F2N7O/c1-14(15-4-3-5-18(29)12-15)21-25-31-10-11-36(25)13-19(32-21)23-33-22(30)20-24(34-23)35-26(37)27(20,2)16-6-8-17(28)9-7-16/h3-14H,1-2H3,(H3,30,33,34,35,37)
InChIKeyUSZWPSCKXWDKJY-UHFFFAOYSA-N
XLogP4.46
TPSA111.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.51
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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-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-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-(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
(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-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
(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
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-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
(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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(c1cccc(F)c1)c1nc(-c2nc(N)c3c(n2)NC(=O)C3(C)c2ccc(F)cc2)cn2ccnc12.
What is the InChIKey of 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?
The InChIKey is USZWPSCKXWDKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21F2N7O/c1-14(15-4-3-5-18(29)12-15)21-25-31-10-11-36(25)13-19(32-21)23-33-22(30)20-24(34-23)35-26(37)27(20,2)16-6-8-17(28)9-7-16/h3-14H,1-2H3,(H3,30,33,34,35,37).
What are the key properties of 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?
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 has a molecular weight of 497.51 g/mol, XLogP of 4.46, 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-[1-(3-fluorophenyl)ethyl]imidazo[1,2-a]pyrazin-6-yl]-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 146304752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).