6-(7-chloro-1,8-naphthyridin-2-yl)-7-(5-methyl-2-oxohexyl)-7H-pyrrolo[3,4-b]pyrazin-5-one

C21H20ClN5O2 — CID 88616374

IUPAC6-(7-chloro-1,8-naphthyridin-2-yl)-7-(5-methyl-2-oxohexyl)-7H-pyrrolo[3,4-b]pyrazin-5-one
SMILESCC(C)CCC(=O)CC1c2nccnc2C(=O)N1c1ccc2ccc(Cl)nc2n1
InChIInChI=1S/C21H20ClN5O2/c1-12(2)3-6-14(28)11-15-18-19(24-10-9-23-18)21(29)27(15)17-8-5-13-4-7-16(22)25-20(13)26-17/h4-5,7-10,12,15H,3,6,11H2,1-2H3
InChIKeyKBHIUTAYBPNRIL-UHFFFAOYSA-N
MW409.88 g/mol
LogP4.17
Rot. Bonds6

About 6-(7-chloro-1,8-naphthyridin-2-yl)-7-(5-methyl-2-oxohexyl)-7H-pyrrolo[3,4-b]pyrazin-5-one

6-(7-chloro-1,8-naphthyridin-2-yl)-7-(5-methyl-2-oxohexyl)-7H-pyrrolo[3,4-b]pyrazin-5-one (PubChem CID 88616374) has the molecular formula C21H20ClN5O2 and a molecular weight of 409.88 g/mol. Its IUPAC name is 6-(7-chloro-1,8-naphthyridin-2-yl)-7-(5-methyl-2-oxohexyl)-7H-pyrrolo[3,4-b]pyrazin-5-one.

Molecular Properties

Compound Name6-(7-chloro-1,8-naphthyridin-2-yl)-7-(5-methyl-2-oxohexyl)-7H-pyrrolo[3,4-b]pyrazin-5-one
PubChem CID88616374
Molecular FormulaC21H20ClN5O2
Molecular Weight409.88 g/mol
Exact Mass409.13
IUPAC Name6-(7-chloro-1,8-naphthyridin-2-yl)-7-(5-methyl-2-oxohexyl)-7H-pyrrolo[3,4-b]pyrazin-5-one
SMILESCC(C)CCC(=O)CC1c2nccnc2C(=O)N1c1ccc2ccc(Cl)nc2n1
InChIInChI=1S/C21H20ClN5O2/c1-12(2)3-6-14(28)11-15-18-19(24-10-9-23-18)21(29)27(15)17-8-5-13-4-7-16(22)25-20(13)26-17/h4-5,7-10,12,15H,3,6,11H2,1-2H3
InChIKeyKBHIUTAYBPNRIL-UHFFFAOYSA-N
XLogP4.17
TPSA88.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.88
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-(7-chloro-1,8-naphthyridin-2-yl)-7-(5-methyl-2-oxohexyl)-7H-pyrrolo[3,4-b]pyrazin-5-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-chloro-1,8-naphthyridin-2-yl)-7-(5-methyl-2-oxohexyl)-7H-pyrrolo[3,4-b]pyrazin-5-one?
The IUPAC name of 6-(7-chloro-1,8-naphthyridin-2-yl)-7-(5-methyl-2-oxohexyl)-7H-pyrrolo[3,4-b]pyrazin-5-one (CID 88616374) is 6-(7-chloro-1,8-naphthyridin-2-yl)-7-(5-methyl-2-oxohexyl)-7H-pyrrolo[3,4-b]pyrazin-5-one.
What is the SMILES notation for 6-(7-chloro-1,8-naphthyridin-2-yl)-7-(5-methyl-2-oxohexyl)-7H-pyrrolo[3,4-b]pyrazin-5-one?
The canonical SMILES for 6-(7-chloro-1,8-naphthyridin-2-yl)-7-(5-methyl-2-oxohexyl)-7H-pyrrolo[3,4-b]pyrazin-5-one is CC(C)CCC(=O)CC1c2nccnc2C(=O)N1c1ccc2ccc(Cl)nc2n1.
What is the InChIKey of 6-(7-chloro-1,8-naphthyridin-2-yl)-7-(5-methyl-2-oxohexyl)-7H-pyrrolo[3,4-b]pyrazin-5-one?
The InChIKey is KBHIUTAYBPNRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN5O2/c1-12(2)3-6-14(28)11-15-18-19(24-10-9-23-18)21(29)27(15)17-8-5-13-4-7-16(22)25-20(13)26-17/h4-5,7-10,12,15H,3,6,11H2,1-2H3.
What are the key properties of 6-(7-chloro-1,8-naphthyridin-2-yl)-7-(5-methyl-2-oxohexyl)-7H-pyrrolo[3,4-b]pyrazin-5-one?
6-(7-chloro-1,8-naphthyridin-2-yl)-7-(5-methyl-2-oxohexyl)-7H-pyrrolo[3,4-b]pyrazin-5-one has a molecular weight of 409.88 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-chloro-1,8-naphthyridin-2-yl)-7-(5-methyl-2-oxohexyl)-7H-pyrrolo[3,4-b]pyrazin-5-one is sourced from PubChem (CID 88616374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).