2-methyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)-6-(thiophen-2-ylmethyl)-1,6-naphthyridin-5-one

C24H23N5O2S — CID 20946805

IUPAC2-methyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)-6-(thiophen-2-ylmethyl)-1,6-naphthyridin-5-one
SMILESCc1nc2ccn(Cc3cccs3)c(=O)c2cc1C(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C24H23N5O2S/c1-17-19(23(30)28-12-10-27(11-13-28)22-6-2-3-8-25-22)15-20-21(26-17)7-9-29(24(20)31)16-18-5-4-14-32-18/h2-9,14-15H,10-13,16H2,1H3
InChIKeySAQAZRPTYMMCDW-UHFFFAOYSA-N
MW445.55 g/mol
LogP3.17
Rot. Bonds4

About 2-methyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)-6-(thiophen-2-ylmethyl)-1,6-naphthyridin-5-one

2-methyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)-6-(thiophen-2-ylmethyl)-1,6-naphthyridin-5-one (PubChem CID 20946805) has the molecular formula C24H23N5O2S and a molecular weight of 445.55 g/mol. Its IUPAC name is 2-methyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)-6-(thiophen-2-ylmethyl)-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name2-methyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)-6-(thiophen-2-ylmethyl)-1,6-naphthyridin-5-one
PubChem CID20946805
Molecular FormulaC24H23N5O2S
Molecular Weight445.55 g/mol
Exact Mass445.16
IUPAC Name2-methyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)-6-(thiophen-2-ylmethyl)-1,6-naphthyridin-5-one
SMILESCc1nc2ccn(Cc3cccs3)c(=O)c2cc1C(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C24H23N5O2S/c1-17-19(23(30)28-12-10-27(11-13-28)22-6-2-3-8-25-22)15-20-21(26-17)7-9-29(24(20)31)16-18-5-4-14-32-18/h2-9,14-15H,10-13,16H2,1H3
InChIKeySAQAZRPTYMMCDW-UHFFFAOYSA-N
XLogP3.17
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.55
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-methyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)-6-(thiophen-2-ylmethyl)-1,6-naphthyridin-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 2-methyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)-6-(thiophen-2-ylmethyl)-1,6-naphthyridin-5-one?
The IUPAC name of 2-methyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)-6-(thiophen-2-ylmethyl)-1,6-naphthyridin-5-one (CID 20946805) is 2-methyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)-6-(thiophen-2-ylmethyl)-1,6-naphthyridin-5-one.
What is the SMILES notation for 2-methyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)-6-(thiophen-2-ylmethyl)-1,6-naphthyridin-5-one?
The canonical SMILES for 2-methyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)-6-(thiophen-2-ylmethyl)-1,6-naphthyridin-5-one is Cc1nc2ccn(Cc3cccs3)c(=O)c2cc1C(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 2-methyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)-6-(thiophen-2-ylmethyl)-1,6-naphthyridin-5-one?
The InChIKey is SAQAZRPTYMMCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2S/c1-17-19(23(30)28-12-10-27(11-13-28)22-6-2-3-8-25-22)15-20-21(26-17)7-9-29(24(20)31)16-18-5-4-14-32-18/h2-9,14-15H,10-13,16H2,1H3.
What are the key properties of 2-methyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)-6-(thiophen-2-ylmethyl)-1,6-naphthyridin-5-one?
2-methyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)-6-(thiophen-2-ylmethyl)-1,6-naphthyridin-5-one has a molecular weight of 445.55 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)-6-(thiophen-2-ylmethyl)-1,6-naphthyridin-5-one is sourced from PubChem (CID 20946805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).