6,7-dichloro-4-[[4-fluoro-3-[4-(3-methoxy-2-pyridinyl)piperazine-1-carbonyl]phenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one

C25H22Cl2FN5O3 — CID 46229888

IUPAC6,7-dichloro-4-[[4-fluoro-3-[4-(3-methoxy-2-pyridinyl)piperazine-1-carbonyl]phenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESCOc1cccnc1N1CCN(C(=O)c2cc(Cc3c[nH]c(=O)c4cc(Cl)c(Cl)n34)ccc2F)CC1
InChIInChI=1S/C25H22Cl2FN5O3/c1-36-21-3-2-6-29-23(21)31-7-9-32(10-8-31)25(35)17-12-15(4-5-19(17)28)11-16-14-30-24(34)20-13-18(26)22(27)33(16)20/h2-6,12-14H,7-11H2,1H3,(H,30,34)
InChIKeyCRIKPZLHYXGADY-UHFFFAOYSA-N
MW530.39 g/mol
LogP4.03
Rot. Bonds5

About 6,7-dichloro-4-[[4-fluoro-3-[4-(3-methoxy-2-pyridinyl)piperazine-1-carbonyl]phenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one

6,7-dichloro-4-[[4-fluoro-3-[4-(3-methoxy-2-pyridinyl)piperazine-1-carbonyl]phenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one (PubChem CID 46229888) has the molecular formula C25H22Cl2FN5O3 and a molecular weight of 530.39 g/mol. Its IUPAC name is 6,7-dichloro-4-[[4-fluoro-3-[4-(3-methoxy-2-pyridinyl)piperazine-1-carbonyl]phenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name6,7-dichloro-4-[[4-fluoro-3-[4-(3-methoxy-2-pyridinyl)piperazine-1-carbonyl]phenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one
PubChem CID46229888
Molecular FormulaC25H22Cl2FN5O3
Molecular Weight530.39 g/mol
Exact Mass529.11
IUPAC Name6,7-dichloro-4-[[4-fluoro-3-[4-(3-methoxy-2-pyridinyl)piperazine-1-carbonyl]phenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESCOc1cccnc1N1CCN(C(=O)c2cc(Cc3c[nH]c(=O)c4cc(Cl)c(Cl)n34)ccc2F)CC1
InChIInChI=1S/C25H22Cl2FN5O3/c1-36-21-3-2-6-29-23(21)31-7-9-32(10-8-31)25(35)17-12-15(4-5-19(17)28)11-16-14-30-24(34)20-13-18(26)22(27)33(16)20/h2-6,12-14H,7-11H2,1H3,(H,30,34)
InChIKeyCRIKPZLHYXGADY-UHFFFAOYSA-N
XLogP4.03
TPSA82.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.39
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6,7-dichloro-4-[[4-fluoro-3-[4-(3-methoxy-2-pyridinyl)piperazine-1-carbonyl]phenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-4-[[4-fluoro-3-[4-(3-methoxy-2-pyridinyl)piperazine-1-carbonyl]phenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one?
The IUPAC name of 6,7-dichloro-4-[[4-fluoro-3-[4-(3-methoxy-2-pyridinyl)piperazine-1-carbonyl]phenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one (CID 46229888) is 6,7-dichloro-4-[[4-fluoro-3-[4-(3-methoxy-2-pyridinyl)piperazine-1-carbonyl]phenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one.
What is the SMILES notation for 6,7-dichloro-4-[[4-fluoro-3-[4-(3-methoxy-2-pyridinyl)piperazine-1-carbonyl]phenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one?
The canonical SMILES for 6,7-dichloro-4-[[4-fluoro-3-[4-(3-methoxy-2-pyridinyl)piperazine-1-carbonyl]phenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one is COc1cccnc1N1CCN(C(=O)c2cc(Cc3c[nH]c(=O)c4cc(Cl)c(Cl)n34)ccc2F)CC1.
What is the InChIKey of 6,7-dichloro-4-[[4-fluoro-3-[4-(3-methoxy-2-pyridinyl)piperazine-1-carbonyl]phenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one?
The InChIKey is CRIKPZLHYXGADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22Cl2FN5O3/c1-36-21-3-2-6-29-23(21)31-7-9-32(10-8-31)25(35)17-12-15(4-5-19(17)28)11-16-14-30-24(34)20-13-18(26)22(27)33(16)20/h2-6,12-14H,7-11H2,1H3,(H,30,34).
What are the key properties of 6,7-dichloro-4-[[4-fluoro-3-[4-(3-methoxy-2-pyridinyl)piperazine-1-carbonyl]phenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one?
6,7-dichloro-4-[[4-fluoro-3-[4-(3-methoxy-2-pyridinyl)piperazine-1-carbonyl]phenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 530.39 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-4-[[4-fluoro-3-[4-(3-methoxy-2-pyridinyl)piperazine-1-carbonyl]phenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 46229888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).