[6-(7-chloro-1,8-naphthyridin-2-yl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] N,N-dimethylcarbamate

C17H13ClN6O3 — CID 22754757

IUPAC[6-(7-chloro-1,8-naphthyridin-2-yl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)OC1c2nccnc2C(=O)N1c1ccc2ccc(Cl)nc2n1
InChIInChI=1S/C17H13ClN6O3/c1-23(2)17(26)27-16-13-12(19-7-8-20-13)15(25)24(16)11-6-4-9-3-5-10(18)21-14(9)22-11/h3-8,16H,1-2H3
InChIKeyVSFTZLPLDDRCTL-UHFFFAOYSA-N
MW384.78 g/mol
LogP2.43
Rot. Bonds2

About [6-(7-chloro-1,8-naphthyridin-2-yl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] N,N-dimethylcarbamate

[6-(7-chloro-1,8-naphthyridin-2-yl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] N,N-dimethylcarbamate (PubChem CID 22754757) has the molecular formula C17H13ClN6O3 and a molecular weight of 384.78 g/mol. Its IUPAC name is [6-(7-chloro-1,8-naphthyridin-2-yl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[6-(7-chloro-1,8-naphthyridin-2-yl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] N,N-dimethylcarbamate
PubChem CID22754757
Molecular FormulaC17H13ClN6O3
Molecular Weight384.78 g/mol
Exact Mass384.07
IUPAC Name[6-(7-chloro-1,8-naphthyridin-2-yl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)OC1c2nccnc2C(=O)N1c1ccc2ccc(Cl)nc2n1
InChIInChI=1S/C17H13ClN6O3/c1-23(2)17(26)27-16-13-12(19-7-8-20-13)15(25)24(16)11-6-4-9-3-5-10(18)21-14(9)22-11/h3-8,16H,1-2H3
InChIKeyVSFTZLPLDDRCTL-UHFFFAOYSA-N
XLogP2.43
TPSA101.41 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.78
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [6-(7-chloro-1,8-naphthyridin-2-yl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] N,N-dimethylcarbamate?
The IUPAC name of [6-(7-chloro-1,8-naphthyridin-2-yl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] N,N-dimethylcarbamate (CID 22754757) is [6-(7-chloro-1,8-naphthyridin-2-yl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] N,N-dimethylcarbamate.
What is the SMILES notation for [6-(7-chloro-1,8-naphthyridin-2-yl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] N,N-dimethylcarbamate?
The canonical SMILES for [6-(7-chloro-1,8-naphthyridin-2-yl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] N,N-dimethylcarbamate is CN(C)C(=O)OC1c2nccnc2C(=O)N1c1ccc2ccc(Cl)nc2n1.
What is the InChIKey of [6-(7-chloro-1,8-naphthyridin-2-yl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] N,N-dimethylcarbamate?
The InChIKey is VSFTZLPLDDRCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN6O3/c1-23(2)17(26)27-16-13-12(19-7-8-20-13)15(25)24(16)11-6-4-9-3-5-10(18)21-14(9)22-11/h3-8,16H,1-2H3.
What are the key properties of [6-(7-chloro-1,8-naphthyridin-2-yl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] N,N-dimethylcarbamate?
[6-(7-chloro-1,8-naphthyridin-2-yl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] N,N-dimethylcarbamate has a molecular weight of 384.78 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(7-chloro-1,8-naphthyridin-2-yl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] N,N-dimethylcarbamate is sourced from PubChem (CID 22754757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).