2-[2-(8-chloro-6-methyl-1,5-naphthyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;2-[2-[6-(1,1-difluoroethyl)-1,8-naphthyridin-2-yl]ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;methane;bis(2-[2-(6-methyl-1,8-naphthyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine);8-methyl-2-[2-(1,5-naphthyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;2-(2-quinoxalin-2-ylethyl)-[1,2,4]triazolo[5,1-f][1,6]naphthyridine

C121H97ClF2N36 — CID 157291311

IUPAC2-[2-(8-chloro-6-methyl-1,5-naphthyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;2-[2-[6-(1,1-difluoroethyl)-1,8-naphthyridin-2-yl]ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;methane;bis(2-[2-(6-methyl-1,8-naphthyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine);8-methyl-2-[2-(1,5-naphthyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;2-(2-quinoxalin-2-ylethyl)-[1,2,4]triazolo[5,1-f][1,6]naphthyridine
SMILESC.CC(F)(F)c1cnc2nc(CCc3nc4c5cccnc5ccn4n3)ccc2c1.Cc1cc(Cl)c2nc(CCc3nc4c5cccnc5ccn4n3)ccc2n1.Cc1ccc2c(ccn3nc(CCc4ccc5ncccc5n4)nc23)n1.Cc1cnc2nc(CCc3nc4c5cccnc5ccn4n3)ccc2c1.Cc1cnc2nc(CCc3nc4c5cccnc5ccn4n3)ccc2c1.c1ccc2nc(CCc3nc4c5cccnc5ccn4n3)cnc2c1
InChIInChI=1S/C21H16F2N6.C20H15ClN6.3C20H16N6.C19H14N6.CH4/c1-21(22,23)14-11-13-4-5-15(26-19(13)25-12-14)6-7-18-27-20-16-3-2-9-24-17(16)8-10-29(20)28-18;1-12-11-15(21)19-17(23-12)6-4-13(24-19)5-7-18-25-20-14-3-2-9-22-16(14)8-10-27(20)26-18;1-13-4-7-15-16(22-13)10-12-26-20(15)24-19(25-26)9-6-14-5-8-17-18(23-14)3-2-11-21-17;2*1-13-11-14-4-5-15(23-19(14)22-12-13)6-7-18-24-20-16-3-2-9-21-17(16)8-10-26(20)25-18;1-2-6-17-16(5-1)21-12-13(22-17)7-8-18-23-19-14-4-3-10-20-15(14)9-11-25(19)24-18;/h2-5,8-12H,6-7H2,1H3;2-4,6,8-11H,5,7H2,1H3;2-5,7-8,10-12H,6,9H2,1H3;2*2-5,8-12H,6-7H2,1H3;1-6,9-12H,7-8H2;1H4
InChIKeyBAVIBVNZOHOPKK-UHFFFAOYSA-N
MW2128.81 g/mol
LogP21.67
Rot. Bonds19

About 2-[2-(8-chloro-6-methyl-1,5-naphthyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;2-[2-[6-(1,1-difluoroethyl)-1,8-naphthyridin-2-yl]ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;methane;bis(2-[2-(6-methyl-1,8-naphthyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine);8-methyl-2-[2-(1,5-naphthyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;2-(2-quinoxalin-2-ylethyl)-[1,2,4]triazolo[5,1-f][1,6]naphthyridine

2-[2-(8-chloro-6-methyl-1,5-naphthyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;2-[2-[6-(1,1-difluoroethyl)-1,8-naphthyridin-2-yl]ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;methane;bis(2-[2-(6-methyl-1,8-naphthyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine);8-methyl-2-[2-(1,5-naphthyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;2-(2-quinoxalin-2-ylethyl)-[1,2,4]triazolo[5,1-f][1,6]naphthyridine (PubChem CID 157291311) has the molecular formula C121H97ClF2N36 and a molecular weight of 2128.81 g/mol. Its IUPAC name is 2-[2-(8-chloro-6-methyl-1,5-naphthyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;2-[2-[6-(1,1-difluoroethyl)-1,8-naphthyridin-2-yl]ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;methane;bis(2-[2-(6-methyl-1,8-naphthyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine);8-methyl-2-[2-(1,5-naphthyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;2-(2-quinoxalin-2-ylethyl)-[1,2,4]triazolo[5,1-f][1,6]naphthyridine.

Molecular Properties

Compound Name2-[2-(8-chloro-6-methyl-1,5-naphthyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;2-[2-[6-(1,1-difluoroethyl)-1,8-naphthyridin-2-yl]ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;methane;bis(2-[2-(6-methyl-1,8-naphthyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine);8-methyl-2-[2-(1,5-naphthyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;2-(2-quinoxalin-2-ylethyl)-[1,2,4]triazolo[5,1-f][1,6]naphthyridine
PubChem CID157291311
Molecular FormulaC121H97ClF2N36
Molecular Weight2128.81 g/mol
Exact Mass2126.84
IUPAC Name2-[2-(8-chloro-6-methyl-1,5-naphthyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;2-[2-[6-(1,1-difluoroethyl)-1,8-naphthyridin-2-yl]ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;methane;bis(2-[2-(6-methyl-1,8-naphthyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine);8-methyl-2-[2-(1,5-naphthyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;2-(2-quinoxalin-2-ylethyl)-[1,2,4]triazolo[5,1-f][1,6]naphthyridine
SMILESC.CC(F)(F)c1cnc2nc(CCc3nc4c5cccnc5ccn4n3)ccc2c1.Cc1cc(Cl)c2nc(CCc3nc4c5cccnc5ccn4n3)ccc2n1.Cc1ccc2c(ccn3nc(CCc4ccc5ncccc5n4)nc23)n1.Cc1cnc2nc(CCc3nc4c5cccnc5ccn4n3)ccc2c1.Cc1cnc2nc(CCc3nc4c5cccnc5ccn4n3)ccc2c1.c1ccc2nc(CCc3nc4c5cccnc5ccn4n3)cnc2c1
InChIInChI=1S/C21H16F2N6.C20H15ClN6.3C20H16N6.C19H14N6.CH4/c1-21(22,23)14-11-13-4-5-15(26-19(13)25-12-14)6-7-18-27-20-16-3-2-9-24-17(16)8-10-29(20)28-18;1-12-11-15(21)19-17(23-12)6-4-13(24-19)5-7-18-25-20-14-3-2-9-22-16(14)8-10-27(20)26-18;1-13-4-7-15-16(22-13)10-12-26-20(15)24-19(25-26)9-6-14-5-8-17-18(23-14)3-2-11-21-17;2*1-13-11-14-4-5-15(23-19(14)22-12-13)6-7-18-24-20-16-3-2-9-21-17(16)8-10-26(20)25-18;1-2-6-17-16(5-1)21-12-13(22-17)7-8-18-23-19-14-4-3-10-20-15(14)9-11-25(19)24-18;/h2-5,8-12H,6-7H2,1H3;2-4,6,8-11H,5,7H2,1H3;2-5,7-8,10-12H,6,9H2,1H3;2*2-5,8-12H,6-7H2,1H3;1-6,9-12H,7-8H2;1H4
InChIKeyBAVIBVNZOHOPKK-UHFFFAOYSA-N
XLogP21.67
TPSA413.16 Ų
H-Bond Donors
H-Bond Acceptors36
Rotatable Bonds19
Heavy Atoms160
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002128.81
LogP ≤ 521.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1036

Analyze 2-[2-(8-chloro-6-methyl-1,5-naphthyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;2-[2-[6-(1,1-difluoroethyl)-1,8-naphthyridin-2-yl]ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;methane;bis(2-[2-(6-methyl-1,8-naphthyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine);8-methyl-2-[2-(1,5-naphthyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;2-(2-quinoxalin-2-ylethyl)-[1,2,4]triazolo[5,1-f][1,6]naphthyridine with MolForge

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Related Compounds

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CID 137390002

Frequently Asked Questions

What is the IUPAC name of 2-[2-(8-chloro-6-methyl-1,5-naphthyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;2-[2-[6-(1,1-difluoroethyl)-1,8-naphthyridin-2-yl]ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;methane;bis(2-[2-(6-methyl-1,8-naphthyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine);8-methyl-2-[2-(1,5-naphthyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;2-(2-quinoxalin-2-ylethyl)-[1,2,4]triazolo[5,1-f][1,6]naphthyridine?
The IUPAC name of 2-[2-(8-chloro-6-methyl-1,5-naphthyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;2-[2-[6-(1,1-difluoroethyl)-1,8-naphthyridin-2-yl]ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;methane;bis(2-[2-(6-methyl-1,8-naphthyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine);8-methyl-2-[2-(1,5-naphthyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;2-(2-quinoxalin-2-ylethyl)-[1,2,4]triazolo[5,1-f][1,6]naphthyridine (CID 157291311) is 2-[2-(8-chloro-6-methyl-1,5-naphthyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;2-[2-[6-(1,1-difluoroethyl)-1,8-naphthyridin-2-yl]ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;methane;bis(2-[2-(6-methyl-1,8-naphthyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine);8-methyl-2-[2-(1,5-naphthyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;2-(2-quinoxalin-2-ylethyl)-[1,2,4]triazolo[5,1-f][1,6]naphthyridine.
What is the SMILES notation for 2-[2-(8-chloro-6-methyl-1,5-naphthyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;2-[2-[6-(1,1-difluoroethyl)-1,8-naphthyridin-2-yl]ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;methane;bis(2-[2-(6-methyl-1,8-naphthyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine);8-methyl-2-[2-(1,5-naphthyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;2-(2-quinoxalin-2-ylethyl)-[1,2,4]triazolo[5,1-f][1,6]naphthyridine?
The canonical SMILES for 2-[2-(8-chloro-6-methyl-1,5-naphthyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;2-[2-[6-(1,1-difluoroethyl)-1,8-naphthyridin-2-yl]ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;methane;bis(2-[2-(6-methyl-1,8-naphthyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine);8-methyl-2-[2-(1,5-naphthyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;2-(2-quinoxalin-2-ylethyl)-[1,2,4]triazolo[5,1-f][1,6]naphthyridine is C.CC(F)(F)c1cnc2nc(CCc3nc4c5cccnc5ccn4n3)ccc2c1.Cc1cc(Cl)c2nc(CCc3nc4c5cccnc5ccn4n3)ccc2n1.Cc1ccc2c(ccn3nc(CCc4ccc5ncccc5n4)nc23)n1.Cc1cnc2nc(CCc3nc4c5cccnc5ccn4n3)ccc2c1.Cc1cnc2nc(CCc3nc4c5cccnc5ccn4n3)ccc2c1.c1ccc2nc(CCc3nc4c5cccnc5ccn4n3)cnc2c1.
What is the InChIKey of 2-[2-(8-chloro-6-methyl-1,5-naphthyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;2-[2-[6-(1,1-difluoroethyl)-1,8-naphthyridin-2-yl]ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;methane;bis(2-[2-(6-methyl-1,8-naphthyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine);8-methyl-2-[2-(1,5-naphthyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;2-(2-quinoxalin-2-ylethyl)-[1,2,4]triazolo[5,1-f][1,6]naphthyridine?
The InChIKey is BAVIBVNZOHOPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N6.C20H15ClN6.3C20H16N6.C19H14N6.CH4/c1-21(22,23)14-11-13-4-5-15(26-19(13)25-12-14)6-7-18-27-20-16-3-2-9-24-17(16)8-10-29(20)28-18;1-12-11-15(21)19-17(23-12)6-4-13(24-19)5-7-18-25-20-14-3-2-9-22-16(14)8-10-27(20)26-18;1-13-4-7-15-16(22-13)10-12-26-20(15)24-19(25-26)9-6-14-5-8-17-18(23-14)3-2-11-21-17;2*1-13-11-14-4-5-15(23-19(14)22-12-13)6-7-18-24-20-16-3-2-9-21-17(16)8-10-26(20)25-18;1-2-6-17-16(5-1)21-12-13(22-17)7-8-18-23-19-14-4-3-10-20-15(14)9-11-25(19)24-18;/h2-5,8-12H,6-7H2,1H3;2-4,6,8-11H,5,7H2,1H3;2-5,7-8,10-12H,6,9H2,1H3;2*2-5,8-12H,6-7H2,1H3;1-6,9-12H,7-8H2;1H4.
What are the key properties of 2-[2-(8-chloro-6-methyl-1,5-naphthyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;2-[2-[6-(1,1-difluoroethyl)-1,8-naphthyridin-2-yl]ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;methane;bis(2-[2-(6-methyl-1,8-naphthyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine);8-methyl-2-[2-(1,5-naphthyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;2-(2-quinoxalin-2-ylethyl)-[1,2,4]triazolo[5,1-f][1,6]naphthyridine?
2-[2-(8-chloro-6-methyl-1,5-naphthyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;2-[2-[6-(1,1-difluoroethyl)-1,8-naphthyridin-2-yl]ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;methane;bis(2-[2-(6-methyl-1,8-naphthyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine);8-methyl-2-[2-(1,5-naphthyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;2-(2-quinoxalin-2-ylethyl)-[1,2,4]triazolo[5,1-f][1,6]naphthyridine has a molecular weight of 2128.81 g/mol, XLogP of 21.67, 19 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(8-chloro-6-methyl-1,5-naphthyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;2-[2-[6-(1,1-difluoroethyl)-1,8-naphthyridin-2-yl]ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;methane;bis(2-[2-(6-methyl-1,8-naphthyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine);8-methyl-2-[2-(1,5-naphthyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;2-(2-quinoxalin-2-ylethyl)-[1,2,4]triazolo[5,1-f][1,6]naphthyridine is sourced from PubChem (CID 157291311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).