6-[(1S)-1-[8-fluoro-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one;6-[(1R)-1-[8-fluoro-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one;6-[(1S)-1-[8-fluoro-6-(1-methylimidazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one;6-[(1S)-1-[8-fluoro-6-(4-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one;6-[(1R)-1-[8-fluoro-6-(4-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one

C104H84F5N31O7S2 — CID 162203694

IUPAC6-[(1S)-1-[8-fluoro-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one;6-[(1R)-1-[8-fluoro-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one;6-[(1S)-1-[8-fluoro-6-(1-methylimidazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one;6-[(1S)-1-[8-fluoro-6-(4-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one;6-[(1R)-1-[8-fluoro-6-(4-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one
SMILESC[C@@H](c1nnc2c(F)cc(-c3cn(C)cn3)cn12)n1ccc2ncccc2c1=O.C[C@@H](c1nnc2c(F)cc(-c3cnn(CCO)c3)cn12)n1ccc2ncccc2c1=O.C[C@H](c1nnc2c(F)cc(-c3cnn(CCO)c3)cn12)n1ccc2ncccc2c1=O.Cc1csc(-c2cc(F)c3nnc([C@@H](C)n4ccc5ncccc5c4=O)n3c2)c1.Cc1csc(-c2cc(F)c3nnc([C@H](C)n4ccc5ncccc5c4=O)n3c2)c1
InChIInChI=1S/2C21H18FN7O2.2C21H16FN5OS.C20H16FN7O/c2*1-13(28-6-4-18-16(21(28)31)3-2-5-23-18)19-25-26-20-17(22)9-14(12-29(19)20)15-10-24-27(11-15)7-8-30;2*1-12-8-18(29-11-12)14-9-16(22)20-25-24-19(27(20)10-14)13(2)26-7-5-17-15(21(26)28)4-3-6-23-17;1-12(27-7-5-16-14(20(27)29)4-3-6-22-16)18-24-25-19-15(21)8-13(9-28(18)19)17-10-26(2)11-23-17/h2*2-6,9-13,30H,7-8H2,1H3;2*3-11,13H,1-2H3;3-12H,1-2H3/t4*13-;12-/m10100/s1
InChIKeyZRXKTNDCDNDYNO-QNABKWDISA-N
MW2039.15 g/mol
LogP15.12
Rot. Bonds19

About 6-[(1S)-1-[8-fluoro-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one;6-[(1R)-1-[8-fluoro-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one;6-[(1S)-1-[8-fluoro-6-(1-methylimidazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one;6-[(1S)-1-[8-fluoro-6-(4-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one;6-[(1R)-1-[8-fluoro-6-(4-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one

6-[(1S)-1-[8-fluoro-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one;6-[(1R)-1-[8-fluoro-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one;6-[(1S)-1-[8-fluoro-6-(1-methylimidazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one;6-[(1S)-1-[8-fluoro-6-(4-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one;6-[(1R)-1-[8-fluoro-6-(4-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one (PubChem CID 162203694) has the molecular formula C104H84F5N31O7S2 and a molecular weight of 2039.15 g/mol. Its IUPAC name is 6-[(1S)-1-[8-fluoro-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one;6-[(1R)-1-[8-fluoro-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one;6-[(1S)-1-[8-fluoro-6-(1-methylimidazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one;6-[(1S)-1-[8-fluoro-6-(4-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one;6-[(1R)-1-[8-fluoro-6-(4-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name6-[(1S)-1-[8-fluoro-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one;6-[(1R)-1-[8-fluoro-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one;6-[(1S)-1-[8-fluoro-6-(1-methylimidazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one;6-[(1S)-1-[8-fluoro-6-(4-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one;6-[(1R)-1-[8-fluoro-6-(4-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one
PubChem CID162203694
Molecular FormulaC104H84F5N31O7S2
Molecular Weight2039.15 g/mol
Exact Mass2037.65
IUPAC Name6-[(1S)-1-[8-fluoro-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one;6-[(1R)-1-[8-fluoro-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one;6-[(1S)-1-[8-fluoro-6-(1-methylimidazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one;6-[(1S)-1-[8-fluoro-6-(4-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one;6-[(1R)-1-[8-fluoro-6-(4-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one
SMILESC[C@@H](c1nnc2c(F)cc(-c3cn(C)cn3)cn12)n1ccc2ncccc2c1=O.C[C@@H](c1nnc2c(F)cc(-c3cnn(CCO)c3)cn12)n1ccc2ncccc2c1=O.C[C@H](c1nnc2c(F)cc(-c3cnn(CCO)c3)cn12)n1ccc2ncccc2c1=O.Cc1csc(-c2cc(F)c3nnc([C@@H](C)n4ccc5ncccc5c4=O)n3c2)c1.Cc1csc(-c2cc(F)c3nnc([C@H](C)n4ccc5ncccc5c4=O)n3c2)c1
InChIInChI=1S/2C21H18FN7O2.2C21H16FN5OS.C20H16FN7O/c2*1-13(28-6-4-18-16(21(28)31)3-2-5-23-18)19-25-26-20-17(22)9-14(12-29(19)20)15-10-24-27(11-15)7-8-30;2*1-12-8-18(29-11-12)14-9-16(22)20-25-24-19(27(20)10-14)13(2)26-7-5-17-15(21(26)28)4-3-6-23-17;1-12(27-7-5-16-14(20(27)29)4-3-6-22-16)18-24-25-19-15(21)8-13(9-28(18)19)17-10-26(2)11-23-17/h2*2-6,9-13,30H,7-8H2,1H3;2*3-11,13H,1-2H3;3-12H,1-2H3/t4*13-;12-/m10100/s1
InChIKeyZRXKTNDCDNDYNO-QNABKWDISA-N
XLogP15.12
TPSA419.32 Ų
H-Bond Donors2
H-Bond Acceptors40
Rotatable Bonds19
Heavy Atoms149
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002039.15
LogP ≤ 515.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1040

Analyze 6-[(1S)-1-[8-fluoro-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one;6-[(1R)-1-[8-fluoro-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one;6-[(1S)-1-[8-fluoro-6-(1-methylimidazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one;6-[(1S)-1-[8-fluoro-6-(4-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one;6-[(1R)-1-[8-fluoro-6-(4-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[(1S)-1-[8-fluoro-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one;6-[(1R)-1-[8-fluoro-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one;6-[(1S)-1-[8-fluoro-6-(1-methylimidazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one;6-[(1S)-1-[8-fluoro-6-(4-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one;6-[(1R)-1-[8-fluoro-6-(4-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one?
The IUPAC name of 6-[(1S)-1-[8-fluoro-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one;6-[(1R)-1-[8-fluoro-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one;6-[(1S)-1-[8-fluoro-6-(1-methylimidazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one;6-[(1S)-1-[8-fluoro-6-(4-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one;6-[(1R)-1-[8-fluoro-6-(4-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one (CID 162203694) is 6-[(1S)-1-[8-fluoro-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one;6-[(1R)-1-[8-fluoro-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one;6-[(1S)-1-[8-fluoro-6-(1-methylimidazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one;6-[(1S)-1-[8-fluoro-6-(4-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one;6-[(1R)-1-[8-fluoro-6-(4-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one.
What is the SMILES notation for 6-[(1S)-1-[8-fluoro-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one;6-[(1R)-1-[8-fluoro-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one;6-[(1S)-1-[8-fluoro-6-(1-methylimidazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one;6-[(1S)-1-[8-fluoro-6-(4-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one;6-[(1R)-1-[8-fluoro-6-(4-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one?
The canonical SMILES for 6-[(1S)-1-[8-fluoro-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one;6-[(1R)-1-[8-fluoro-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one;6-[(1S)-1-[8-fluoro-6-(1-methylimidazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one;6-[(1S)-1-[8-fluoro-6-(4-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one;6-[(1R)-1-[8-fluoro-6-(4-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one is C[C@@H](c1nnc2c(F)cc(-c3cn(C)cn3)cn12)n1ccc2ncccc2c1=O.C[C@@H](c1nnc2c(F)cc(-c3cnn(CCO)c3)cn12)n1ccc2ncccc2c1=O.C[C@H](c1nnc2c(F)cc(-c3cnn(CCO)c3)cn12)n1ccc2ncccc2c1=O.Cc1csc(-c2cc(F)c3nnc([C@@H](C)n4ccc5ncccc5c4=O)n3c2)c1.Cc1csc(-c2cc(F)c3nnc([C@H](C)n4ccc5ncccc5c4=O)n3c2)c1.
What is the InChIKey of 6-[(1S)-1-[8-fluoro-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one;6-[(1R)-1-[8-fluoro-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one;6-[(1S)-1-[8-fluoro-6-(1-methylimidazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one;6-[(1S)-1-[8-fluoro-6-(4-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one;6-[(1R)-1-[8-fluoro-6-(4-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one?
The InChIKey is ZRXKTNDCDNDYNO-QNABKWDISA-N. The full InChI is InChI=1S/2C21H18FN7O2.2C21H16FN5OS.C20H16FN7O/c2*1-13(28-6-4-18-16(21(28)31)3-2-5-23-18)19-25-26-20-17(22)9-14(12-29(19)20)15-10-24-27(11-15)7-8-30;2*1-12-8-18(29-11-12)14-9-16(22)20-25-24-19(27(20)10-14)13(2)26-7-5-17-15(21(26)28)4-3-6-23-17;1-12(27-7-5-16-14(20(27)29)4-3-6-22-16)18-24-25-19-15(21)8-13(9-28(18)19)17-10-26(2)11-23-17/h2*2-6,9-13,30H,7-8H2,1H3;2*3-11,13H,1-2H3;3-12H,1-2H3/t4*13-;12-/m10100/s1.
What are the key properties of 6-[(1S)-1-[8-fluoro-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one;6-[(1R)-1-[8-fluoro-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one;6-[(1S)-1-[8-fluoro-6-(1-methylimidazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one;6-[(1S)-1-[8-fluoro-6-(4-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one;6-[(1R)-1-[8-fluoro-6-(4-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one?
6-[(1S)-1-[8-fluoro-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one;6-[(1R)-1-[8-fluoro-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one;6-[(1S)-1-[8-fluoro-6-(1-methylimidazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one;6-[(1S)-1-[8-fluoro-6-(4-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one;6-[(1R)-1-[8-fluoro-6-(4-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one has a molecular weight of 2039.15 g/mol, XLogP of 15.12, 19 rotatable bonds, 2 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1S)-1-[8-fluoro-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one;6-[(1R)-1-[8-fluoro-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one;6-[(1S)-1-[8-fluoro-6-(1-methylimidazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one;6-[(1S)-1-[8-fluoro-6-(4-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one;6-[(1R)-1-[8-fluoro-6-(4-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one is sourced from PubChem (CID 162203694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).