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

C24H24FN7O2 — CID 134539078

IUPAC4-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
SMILESCCCC(C)Oc1nc(-c2nc(N)c3c(n2)NC(=O)C3(C)c2ccc(F)cc2)cn2ccnc12
InChIInChI=1S/C24H24FN7O2/c1-4-5-13(2)34-22-21-27-10-11-32(21)12-16(28-22)19-29-18(26)17-20(30-19)31-23(33)24(17,3)14-6-8-15(25)9-7-14/h6-13H,4-5H2,1-3H3,(H3,26,29,30,31,33)
InChIKeyGAMCUPFGJCRUHL-UHFFFAOYSA-N
MW461.50 g/mol
LogP3.73
Rot. Bonds6

About 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

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 (PubChem CID 134539078) has the molecular formula C24H24FN7O2 and a molecular weight of 461.50 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID134539078
Molecular FormulaC24H24FN7O2
Molecular Weight461.50 g/mol
Exact Mass461.20
IUPAC Name4-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
SMILESCCCC(C)Oc1nc(-c2nc(N)c3c(n2)NC(=O)C3(C)c2ccc(F)cc2)cn2ccnc12
InChIInChI=1S/C24H24FN7O2/c1-4-5-13(2)34-22-21-27-10-11-32(21)12-16(28-22)19-29-18(26)17-20(30-19)31-23(33)24(17,3)14-6-8-15(25)9-7-14/h6-13H,4-5H2,1-3H3,(H3,26,29,30,31,33)
InChIKeyGAMCUPFGJCRUHL-UHFFFAOYSA-N
XLogP3.73
TPSA120.32 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.50
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 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 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-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)-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
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
4-amino-5-methyl-5-[4-(trifluoromethoxy)phenyl]-2-[8-(3,3,3-trifluoropropyl)imidazo[1,2-a]pyrazin-6-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 118566951
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
4-amino-2-[8-[(E)-4-chloro-2-methylidenepent-3-enyl]imidazo[1,2-a]pyrazin-6-yl]-5-(4-chlorophenyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 144972723
(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 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCC(C)Oc1nc(-c2nc(N)c3c(n2)NC(=O)C3(C)c2ccc(F)cc2)cn2ccnc12.
What is the InChIKey of 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?
The InChIKey is GAMCUPFGJCRUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN7O2/c1-4-5-13(2)34-22-21-27-10-11-32(21)12-16(28-22)19-29-18(26)17-20(30-19)31-23(33)24(17,3)14-6-8-15(25)9-7-14/h6-13H,4-5H2,1-3H3,(H3,26,29,30,31,33).
What are the key properties of 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?
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 has a molecular weight of 461.50 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 134539078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).