7'-(3-methoxy-1,7-naphthyridin-8-yl)spiro[5,6-dihydro-1,3-thiazine-4,5'-6H-chromeno[2,3-c]pyridine]-2,7'-diamine

C24H22N6O2S — CID 90157090

IUPAC7'-(3-methoxy-1,7-naphthyridin-8-yl)spiro[5,6-dihydro-1,3-thiazine-4,5'-6H-chromeno[2,3-c]pyridine]-2,7'-diamine
SMILESCOc1cnc2c(C3(N)C=CC4=C(C3)C3(CCSC(N)=N3)c3ccncc3O4)nccc2c1
InChIInChI=1S/C24H22N6O2S/c1-31-15-10-14-3-8-28-21(20(14)29-12-15)23(26)5-2-18-17(11-23)24(6-9-33-22(25)30-24)16-4-7-27-13-19(16)32-18/h2-5,7-8,10,12-13H,6,9,11,26H2,1H3,(H2,25,30)
InChIKeyNYHYYRWCRXSIHR-UHFFFAOYSA-N
MW458.55 g/mol
LogP3.14
Rot. Bonds2

About 7'-(3-methoxy-1,7-naphthyridin-8-yl)spiro[5,6-dihydro-1,3-thiazine-4,5'-6H-chromeno[2,3-c]pyridine]-2,7'-diamine

7'-(3-methoxy-1,7-naphthyridin-8-yl)spiro[5,6-dihydro-1,3-thiazine-4,5'-6H-chromeno[2,3-c]pyridine]-2,7'-diamine (PubChem CID 90157090) has the molecular formula C24H22N6O2S and a molecular weight of 458.55 g/mol. Its IUPAC name is 7'-(3-methoxy-1,7-naphthyridin-8-yl)spiro[5,6-dihydro-1,3-thiazine-4,5'-6H-chromeno[2,3-c]pyridine]-2,7'-diamine.

Molecular Properties

Compound Name7'-(3-methoxy-1,7-naphthyridin-8-yl)spiro[5,6-dihydro-1,3-thiazine-4,5'-6H-chromeno[2,3-c]pyridine]-2,7'-diamine
PubChem CID90157090
Molecular FormulaC24H22N6O2S
Molecular Weight458.55 g/mol
Exact Mass458.15
IUPAC Name7'-(3-methoxy-1,7-naphthyridin-8-yl)spiro[5,6-dihydro-1,3-thiazine-4,5'-6H-chromeno[2,3-c]pyridine]-2,7'-diamine
SMILESCOc1cnc2c(C3(N)C=CC4=C(C3)C3(CCSC(N)=N3)c3ccncc3O4)nccc2c1
InChIInChI=1S/C24H22N6O2S/c1-31-15-10-14-3-8-28-21(20(14)29-12-15)23(26)5-2-18-17(11-23)24(6-9-33-22(25)30-24)16-4-7-27-13-19(16)32-18/h2-5,7-8,10,12-13H,6,9,11,26H2,1H3,(H2,25,30)
InChIKeyNYHYYRWCRXSIHR-UHFFFAOYSA-N
XLogP3.14
TPSA121.53 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.55
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 7'-(3-methoxy-1,7-naphthyridin-8-yl)spiro[5,6-dihydro-1,3-thiazine-4,5'-6H-chromeno[2,3-c]pyridine]-2,7'-diamine 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 7'-(3-methoxy-1,7-naphthyridin-8-yl)spiro[5,6-dihydro-1,3-thiazine-4,5'-6H-chromeno[2,3-c]pyridine]-2,7'-diamine?
The IUPAC name of 7'-(3-methoxy-1,7-naphthyridin-8-yl)spiro[5,6-dihydro-1,3-thiazine-4,5'-6H-chromeno[2,3-c]pyridine]-2,7'-diamine (CID 90157090) is 7'-(3-methoxy-1,7-naphthyridin-8-yl)spiro[5,6-dihydro-1,3-thiazine-4,5'-6H-chromeno[2,3-c]pyridine]-2,7'-diamine.
What is the SMILES notation for 7'-(3-methoxy-1,7-naphthyridin-8-yl)spiro[5,6-dihydro-1,3-thiazine-4,5'-6H-chromeno[2,3-c]pyridine]-2,7'-diamine?
The canonical SMILES for 7'-(3-methoxy-1,7-naphthyridin-8-yl)spiro[5,6-dihydro-1,3-thiazine-4,5'-6H-chromeno[2,3-c]pyridine]-2,7'-diamine is COc1cnc2c(C3(N)C=CC4=C(C3)C3(CCSC(N)=N3)c3ccncc3O4)nccc2c1.
What is the InChIKey of 7'-(3-methoxy-1,7-naphthyridin-8-yl)spiro[5,6-dihydro-1,3-thiazine-4,5'-6H-chromeno[2,3-c]pyridine]-2,7'-diamine?
The InChIKey is NYHYYRWCRXSIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O2S/c1-31-15-10-14-3-8-28-21(20(14)29-12-15)23(26)5-2-18-17(11-23)24(6-9-33-22(25)30-24)16-4-7-27-13-19(16)32-18/h2-5,7-8,10,12-13H,6,9,11,26H2,1H3,(H2,25,30).
What are the key properties of 7'-(3-methoxy-1,7-naphthyridin-8-yl)spiro[5,6-dihydro-1,3-thiazine-4,5'-6H-chromeno[2,3-c]pyridine]-2,7'-diamine?
7'-(3-methoxy-1,7-naphthyridin-8-yl)spiro[5,6-dihydro-1,3-thiazine-4,5'-6H-chromeno[2,3-c]pyridine]-2,7'-diamine has a molecular weight of 458.55 g/mol, XLogP of 3.14, 2 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7'-(3-methoxy-1,7-naphthyridin-8-yl)spiro[5,6-dihydro-1,3-thiazine-4,5'-6H-chromeno[2,3-c]pyridine]-2,7'-diamine is sourced from PubChem (CID 90157090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).