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

C24H25Cl2FN4O2 — CID 46216812

IUPAC6,7-dichloro-4-[[4-fluoro-3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESO=C(c1cc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)ccc1F)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C24H25Cl2FN4O2/c25-19-13-21-23(32)28-14-17(31(21)22(19)26)11-15-3-4-20(27)18(12-15)24(33)30-9-5-16(6-10-30)29-7-1-2-8-29/h3-4,12-14,16H,1-2,5-11H2,(H,28,32)
InChIKeyCZOIIHSTWAZOKV-UHFFFAOYSA-N
MW491.39 g/mol
LogP4.36
Rot. Bonds4

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

6,7-dichloro-4-[[4-fluoro-3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one (PubChem CID 46216812) has the molecular formula C24H25Cl2FN4O2 and a molecular weight of 491.39 g/mol. Its IUPAC name is 6,7-dichloro-4-[[4-fluoro-3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name6,7-dichloro-4-[[4-fluoro-3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one
PubChem CID46216812
Molecular FormulaC24H25Cl2FN4O2
Molecular Weight491.39 g/mol
Exact Mass490.13
IUPAC Name6,7-dichloro-4-[[4-fluoro-3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESO=C(c1cc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)ccc1F)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C24H25Cl2FN4O2/c25-19-13-21-23(32)28-14-17(31(21)22(19)26)11-15-3-4-20(27)18(12-15)24(33)30-9-5-16(6-10-30)29-7-1-2-8-29/h3-4,12-14,16H,1-2,5-11H2,(H,28,32)
InChIKeyCZOIIHSTWAZOKV-UHFFFAOYSA-N
XLogP4.36
TPSA60.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.39
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-4-[[4-fluoro-3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one?
The IUPAC name of 6,7-dichloro-4-[[4-fluoro-3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one (CID 46216812) is 6,7-dichloro-4-[[4-fluoro-3-(4-pyrrolidin-1-ylpiperidine-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-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one?
The canonical SMILES for 6,7-dichloro-4-[[4-fluoro-3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one is O=C(c1cc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)ccc1F)N1CCC(N2CCCC2)CC1.
What is the InChIKey of 6,7-dichloro-4-[[4-fluoro-3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one?
The InChIKey is CZOIIHSTWAZOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25Cl2FN4O2/c25-19-13-21-23(32)28-14-17(31(21)22(19)26)11-15-3-4-20(27)18(12-15)24(33)30-9-5-16(6-10-30)29-7-1-2-8-29/h3-4,12-14,16H,1-2,5-11H2,(H,28,32).
What are the key properties of 6,7-dichloro-4-[[4-fluoro-3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one?
6,7-dichloro-4-[[4-fluoro-3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 491.39 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-4-[[4-fluoro-3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 46216812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).