1-[(4-fluorophenyl)methyl]-5-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3H-imidazo[4,5-b]pyrazin-2-one

C24H23FN6O2 — CID 126469846

IUPAC1-[(4-fluorophenyl)methyl]-5-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3H-imidazo[4,5-b]pyrazin-2-one
SMILESCN1CCN(C(=O)c2ccc(-c3cnc4c(n3)[nH]c(=O)n4Cc3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C24H23FN6O2/c1-29-10-12-30(13-11-29)23(32)18-6-4-17(5-7-18)20-14-26-22-21(27-20)28-24(33)31(22)15-16-2-8-19(25)9-3-16/h2-9,14H,10-13,15H2,1H3,(H,27,28,33)
InChIKeyFTXQZHBDSJDBKO-UHFFFAOYSA-N
MW446.49 g/mol
LogP2.36
Rot. Bonds4

About 1-[(4-fluorophenyl)methyl]-5-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3H-imidazo[4,5-b]pyrazin-2-one

1-[(4-fluorophenyl)methyl]-5-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3H-imidazo[4,5-b]pyrazin-2-one (PubChem CID 126469846) has the molecular formula C24H23FN6O2 and a molecular weight of 446.49 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-5-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3H-imidazo[4,5-b]pyrazin-2-one.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-5-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3H-imidazo[4,5-b]pyrazin-2-one
PubChem CID126469846
Molecular FormulaC24H23FN6O2
Molecular Weight446.49 g/mol
Exact Mass446.19
IUPAC Name1-[(4-fluorophenyl)methyl]-5-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3H-imidazo[4,5-b]pyrazin-2-one
SMILESCN1CCN(C(=O)c2ccc(-c3cnc4c(n3)[nH]c(=O)n4Cc3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C24H23FN6O2/c1-29-10-12-30(13-11-29)23(32)18-6-4-17(5-7-18)20-14-26-22-21(27-20)28-24(33)31(22)15-16-2-8-19(25)9-3-16/h2-9,14H,10-13,15H2,1H3,(H,27,28,33)
InChIKeyFTXQZHBDSJDBKO-UHFFFAOYSA-N
XLogP2.36
TPSA87.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.49
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(4-fluorophenyl)methyl]-5-(1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyrazin-2-one
CID 126471277
1-[4-[2-[(4-fluorophenyl)methylamino]pyrimidine-5-carbonyl]piperazin-1-yl]ethanone
CID 109254612
N-[2-(4-fluorophenyl)ethyl]-4-(4-methylpiperazine-1-carbonyl)benzamide
CID 109046101
[4-[5,6-dichloro-1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 4915135
4-benzyl-2-[4-(4-fluorobenzoyl)piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one
CID 53021557
5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2-carboxamide
CID 56654101
[1-benzyl-7-[(4-fluorophenyl)methylamino]-2,3-dimethylindol-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 142593241
N-[(4-fluorophenyl)methyl]-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109104407
[4-[5-amino-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 71711914
4-[2-(ethylamino)pyrimidine-5-carbonyl]-1-[(4-fluorophenyl)methyl]piperazin-2-one
CID 56743160
N-[(4-fluorophenyl)methyl]-4-(4-methylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109084148
[4-(aminomethyl)phenyl]-[4-(4-fluorobenzoyl)piperazin-1-yl]methanone
CID 119281929

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-5-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3H-imidazo[4,5-b]pyrazin-2-one?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-5-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3H-imidazo[4,5-b]pyrazin-2-one (CID 126469846) is 1-[(4-fluorophenyl)methyl]-5-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3H-imidazo[4,5-b]pyrazin-2-one.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-5-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3H-imidazo[4,5-b]pyrazin-2-one?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-5-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3H-imidazo[4,5-b]pyrazin-2-one is CN1CCN(C(=O)c2ccc(-c3cnc4c(n3)[nH]c(=O)n4Cc3ccc(F)cc3)cc2)CC1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-5-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3H-imidazo[4,5-b]pyrazin-2-one?
The InChIKey is FTXQZHBDSJDBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6O2/c1-29-10-12-30(13-11-29)23(32)18-6-4-17(5-7-18)20-14-26-22-21(27-20)28-24(33)31(22)15-16-2-8-19(25)9-3-16/h2-9,14H,10-13,15H2,1H3,(H,27,28,33).
What are the key properties of 1-[(4-fluorophenyl)methyl]-5-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3H-imidazo[4,5-b]pyrazin-2-one?
1-[(4-fluorophenyl)methyl]-5-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3H-imidazo[4,5-b]pyrazin-2-one has a molecular weight of 446.49 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-5-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3H-imidazo[4,5-b]pyrazin-2-one is sourced from PubChem (CID 126469846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).