6,7-dichloro-4-[[3-(1,8-diazaspiro[4.5]decane-8-carbonyl)-4-fluorophenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one

C23H23Cl2FN4O2 — CID 46216800

IUPAC6,7-dichloro-4-[[3-(1,8-diazaspiro[4.5]decane-8-carbonyl)-4-fluorophenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESO=C(c1cc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)ccc1F)N1CCC2(CCCN2)CC1
InChIInChI=1S/C23H23Cl2FN4O2/c24-17-12-19-21(31)27-13-15(30(19)20(17)25)10-14-2-3-18(26)16(11-14)22(32)29-8-5-23(6-9-29)4-1-7-28-23/h2-3,11-13,28H,1,4-10H2,(H,27,31)
InChIKeyHATHVQLHSBBXIA-UHFFFAOYSA-N
MW477.37 g/mol
LogP4.02
Rot. Bonds3

About 6,7-dichloro-4-[[3-(1,8-diazaspiro[4.5]decane-8-carbonyl)-4-fluorophenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one

6,7-dichloro-4-[[3-(1,8-diazaspiro[4.5]decane-8-carbonyl)-4-fluorophenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one (PubChem CID 46216800) has the molecular formula C23H23Cl2FN4O2 and a molecular weight of 477.37 g/mol. Its IUPAC name is 6,7-dichloro-4-[[3-(1,8-diazaspiro[4.5]decane-8-carbonyl)-4-fluorophenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name6,7-dichloro-4-[[3-(1,8-diazaspiro[4.5]decane-8-carbonyl)-4-fluorophenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one
PubChem CID46216800
Molecular FormulaC23H23Cl2FN4O2
Molecular Weight477.37 g/mol
Exact Mass476.12
IUPAC Name6,7-dichloro-4-[[3-(1,8-diazaspiro[4.5]decane-8-carbonyl)-4-fluorophenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESO=C(c1cc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)ccc1F)N1CCC2(CCCN2)CC1
InChIInChI=1S/C23H23Cl2FN4O2/c24-17-12-19-21(31)27-13-15(30(19)20(17)25)10-14-2-3-18(26)16(11-14)22(32)29-8-5-23(6-9-29)4-1-7-28-23/h2-3,11-13,28H,1,4-10H2,(H,27,31)
InChIKeyHATHVQLHSBBXIA-UHFFFAOYSA-N
XLogP4.02
TPSA69.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.37
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6,7-dichloro-4-[[3-(1,8-diazaspiro[4.5]decane-8-carbonyl)-4-fluorophenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-4-[[3-(1,8-diazaspiro[4.5]decane-8-carbonyl)-4-fluorophenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one?
The IUPAC name of 6,7-dichloro-4-[[3-(1,8-diazaspiro[4.5]decane-8-carbonyl)-4-fluorophenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one (CID 46216800) is 6,7-dichloro-4-[[3-(1,8-diazaspiro[4.5]decane-8-carbonyl)-4-fluorophenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one.
What is the SMILES notation for 6,7-dichloro-4-[[3-(1,8-diazaspiro[4.5]decane-8-carbonyl)-4-fluorophenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one?
The canonical SMILES for 6,7-dichloro-4-[[3-(1,8-diazaspiro[4.5]decane-8-carbonyl)-4-fluorophenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one is O=C(c1cc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)ccc1F)N1CCC2(CCCN2)CC1.
What is the InChIKey of 6,7-dichloro-4-[[3-(1,8-diazaspiro[4.5]decane-8-carbonyl)-4-fluorophenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one?
The InChIKey is HATHVQLHSBBXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl2FN4O2/c24-17-12-19-21(31)27-13-15(30(19)20(17)25)10-14-2-3-18(26)16(11-14)22(32)29-8-5-23(6-9-29)4-1-7-28-23/h2-3,11-13,28H,1,4-10H2,(H,27,31).
What are the key properties of 6,7-dichloro-4-[[3-(1,8-diazaspiro[4.5]decane-8-carbonyl)-4-fluorophenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one?
6,7-dichloro-4-[[3-(1,8-diazaspiro[4.5]decane-8-carbonyl)-4-fluorophenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 477.37 g/mol, XLogP of 4.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-4-[[3-(1,8-diazaspiro[4.5]decane-8-carbonyl)-4-fluorophenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 46216800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).