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

C24H22FN7O — CID 118567192

IUPAC4-amino-2-[8-(cyclobutylmethyl)imidazo[1,2-a]pyrazin-6-yl]-5-(4-fluorophenyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCC1(c2ccc(F)cc2)C(=O)Nc2nc(-c3cn4ccnc4c(CC4CCC4)n3)nc(N)c21
InChIInChI=1S/C24H22FN7O/c1-24(14-5-7-15(25)8-6-14)18-19(26)29-20(30-21(18)31-23(24)33)17-12-32-10-9-27-22(32)16(28-17)11-13-3-2-4-13/h5-10,12-13H,2-4,11H2,1H3,(H3,26,29,30,31,33)
InChIKeyPNNBQJIMZYHMOR-UHFFFAOYSA-N
MW443.49 g/mol
LogP3.51
Rot. Bonds4

About 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

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 (PubChem CID 118567192) has the molecular formula C24H22FN7O and a molecular weight of 443.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-amino-2-[8-(cyclobutylmethyl)imidazo[1,2-a]pyrazin-6-yl]-5-(4-fluorophenyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
PubChem CID118567192
Molecular FormulaC24H22FN7O
Molecular Weight443.49 g/mol
Exact Mass443.19
IUPAC Name4-amino-2-[8-(cyclobutylmethyl)imidazo[1,2-a]pyrazin-6-yl]-5-(4-fluorophenyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCC1(c2ccc(F)cc2)C(=O)Nc2nc(-c3cn4ccnc4c(CC4CCC4)n3)nc(N)c21
InChIInChI=1S/C24H22FN7O/c1-24(14-5-7-15(25)8-6-14)18-19(26)29-20(30-21(18)31-23(24)33)17-12-32-10-9-27-22(32)16(28-17)11-13-3-2-4-13/h5-10,12-13H,2-4,11H2,1H3,(H3,26,29,30,31,33)
InChIKeyPNNBQJIMZYHMOR-UHFFFAOYSA-N
XLogP3.51
TPSA111.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.49
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 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 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-(3-phenylpropyl)imidazo[1,2-a]pyrazin-6-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 118566922
(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-(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-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-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-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-[(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
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)-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-(6-cyclopropyl-3-pyridinyl)-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 118566170

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(c2ccc(F)cc2)C(=O)Nc2nc(-c3cn4ccnc4c(CC4CCC4)n3)nc(N)c21.
What is the InChIKey of 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?
The InChIKey is PNNBQJIMZYHMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN7O/c1-24(14-5-7-15(25)8-6-14)18-19(26)29-20(30-21(18)31-23(24)33)17-12-32-10-9-27-22(32)16(28-17)11-13-3-2-4-13/h5-10,12-13H,2-4,11H2,1H3,(H3,26,29,30,31,33).
What are the key properties of 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?
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 has a molecular weight of 443.49 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 118567192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).