6-[(6-chloro-2-cyclopropylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid;6-[(2,6-diphenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid;tris(6-[(6-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid);sulfur dioxide;sulfur monoxide

C106H84ClN15O13S2 — CID 159843861

IUPAC6-[(6-chloro-2-cyclopropylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid;6-[(2,6-diphenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid;tris(6-[(6-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid);sulfur dioxide;sulfur monoxide
SMILESCc1ccc2c(Cc3cccc(C(=O)O)n3)c(-c3ccccc3)nn2c1.Cc1ccc2c(Cc3cccc(C(=O)O)n3)c(-c3ccccc3)nn2c1.Cc1ccc2c(Cc3cccc(C(=O)O)n3)c(-c3ccccc3)nn2c1.O=C(O)c1cccc(Cc2c(-c3ccccc3)nn3cc(-c4ccccc4)ccc23)n1.O=C(O)c1cccc(Cc2c(C3CC3)nn3cc(Cl)ccc23)n1.O=S.O=S=O
InChIInChI=1S/C26H19N3O2.3C21H17N3O2.C17H14ClN3O2.O2S.OS/c30-26(31)23-13-7-12-21(27-23)16-22-24-15-14-20(18-8-3-1-4-9-18)17-29(24)28-25(22)19-10-5-2-6-11-19;3*1-14-10-11-19-17(12-16-8-5-9-18(22-16)21(25)26)20(23-24(19)13-14)15-6-3-2-4-7-15;18-11-6-7-15-13(16(10-4-5-10)20-21(15)9-11)8-12-2-1-3-14(19-12)17(22)23;1-3-2;1-2/h1-15,17H,16H2,(H,30,31);3*2-11,13H,12H2,1H3,(H,25,26);1-3,6-7,9-10H,4-5,8H2,(H,22,23);;
InChIKeyNPAQACKKHUYUCY-UHFFFAOYSA-N
MW1875.52 g/mol
LogP19.88
Rot. Bonds21

About 6-[(6-chloro-2-cyclopropylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid;6-[(2,6-diphenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid;tris(6-[(6-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid);sulfur dioxide;sulfur monoxide

6-[(6-chloro-2-cyclopropylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid;6-[(2,6-diphenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid;tris(6-[(6-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid);sulfur dioxide;sulfur monoxide (PubChem CID 159843861) has the molecular formula C106H84ClN15O13S2 and a molecular weight of 1875.52 g/mol. Its IUPAC name is 6-[(6-chloro-2-cyclopropylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid;6-[(2,6-diphenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid;tris(6-[(6-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid);sulfur dioxide;sulfur monoxide.

Molecular Properties

Compound Name6-[(6-chloro-2-cyclopropylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid;6-[(2,6-diphenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid;tris(6-[(6-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid);sulfur dioxide;sulfur monoxide
PubChem CID159843861
Molecular FormulaC106H84ClN15O13S2
Molecular Weight1875.52 g/mol
Exact Mass1873.55
IUPAC Name6-[(6-chloro-2-cyclopropylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid;6-[(2,6-diphenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid;tris(6-[(6-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid);sulfur dioxide;sulfur monoxide
SMILESCc1ccc2c(Cc3cccc(C(=O)O)n3)c(-c3ccccc3)nn2c1.Cc1ccc2c(Cc3cccc(C(=O)O)n3)c(-c3ccccc3)nn2c1.Cc1ccc2c(Cc3cccc(C(=O)O)n3)c(-c3ccccc3)nn2c1.O=C(O)c1cccc(Cc2c(-c3ccccc3)nn3cc(-c4ccccc4)ccc23)n1.O=C(O)c1cccc(Cc2c(C3CC3)nn3cc(Cl)ccc23)n1.O=S.O=S=O
InChIInChI=1S/C26H19N3O2.3C21H17N3O2.C17H14ClN3O2.O2S.OS/c30-26(31)23-13-7-12-21(27-23)16-22-24-15-14-20(18-8-3-1-4-9-18)17-29(24)28-25(22)19-10-5-2-6-11-19;3*1-14-10-11-19-17(12-16-8-5-9-18(22-16)21(25)26)20(23-24(19)13-14)15-6-3-2-4-7-15;18-11-6-7-15-13(16(10-4-5-10)20-21(15)9-11)8-12-2-1-3-14(19-12)17(22)23;1-3-2;1-2/h1-15,17H,16H2,(H,30,31);3*2-11,13H,12H2,1H3,(H,25,26);1-3,6-7,9-10H,4-5,8H2,(H,22,23);;
InChIKeyNPAQACKKHUYUCY-UHFFFAOYSA-N
XLogP19.88
TPSA388.66 Ų
H-Bond Donors5
H-Bond Acceptors24
Rotatable Bonds21
Heavy Atoms137
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001875.52
LogP ≤ 519.88
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1024

Analyze 6-[(6-chloro-2-cyclopropylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid;6-[(2,6-diphenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid;tris(6-[(6-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid);sulfur dioxide;sulfur monoxide with MolForge

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Related Compounds

3-[(5-Chloro-1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[1-(2-cyclopropylethyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-(cyclopropylmethyl)-5-methylindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(1-ethyl-5-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;bis(3-[[5-methyl-1-(3,3,3-trifluoropropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid)
CID 158490027
Methyl 6-[[6-chloro-2-(2-chlorophenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate;methyl 6-[[6-chloro-2-(3-chlorophenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate;methyl 6-[[6-chloro-2-(4-chlorophenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate;methyl 6-[[6-chloro-2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate;methyl 6-[[6-methyl-2-(1-methylcyclopropyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate
CID 158620467
Methyl 6-[[6-chloro-2-(2-methylphenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate;methyl 6-[[6-chloro-2-(3-methylphenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate;methyl 6-[[6-chloro-2-(4-methylphenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate;methyl 6-[[6-chloro-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate;methyl 6-[[6-chloro-2-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate
CID 158945078
3-[(1-Butyl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-chloro-1-[2-[2-(dimethylamino)ethoxy]ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-(cyclopropylmethyl)-5-methylindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[2-(1-methylpiperidin-4-yl)ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-methyl-1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-(3,3,3-trifluoropropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid
CID 159548122
6-[[6-Chloro-2-(2-chlorophenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid;6-[[6-chloro-2-(3-chlorophenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid;6-[[6-chloro-2-(4-chlorophenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid;6-[[6-chloro-2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid;6-[[6-chloro-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
CID 159920794
3-[[5-Chloro-1-(cyclopropylmethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-chloro-1-(3,3,3-trifluoropropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-(cyclopropylmethyl)-5-methylindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(1-ethyl-5-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(5-methyl-1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid
CID 160197677
3-[[5-Chloro-1-[2-[2-(dimethylamino)ethoxy]ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-(cyclopropylmethyl)-5-methylindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(1-ethyl-5-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[2-(1-methylpiperidin-4-yl)ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-methyl-1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-(3,3,3-trifluoropropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid
CID 160766852
3-[[5-Chloro-1-(cyclopropylmethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-chloro-1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-chloro-1-(3,3,3-trifluoropropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-(cyclopropylmethyl)-5-methylindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(1-ethyl-5-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(5-methyl-1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid
CID 160871870
3-[(5-Chloro-1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[1-(cyclobutylmethyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(1-cyclopentyl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[1-(cyclopentylmethyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-(2-cyclopropylethyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(3,3,3-trifluoropropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid
CID 161264364
3-[[5-Chloro-1-(cyclopropylmethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-chloro-1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-chloro-1-(3,3,3-trifluoropropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-(cyclopentylmethyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-(2-cyclopropylethyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(3,3,3-trifluoropropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid
CID 161928177
Tetrakis(1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylic acid);bis(4-pyridin-4-ylpyridine)
CID 139203443
3,5-Dimethyl-1-phenylpyrazole;hexakis(iridium);isoquinoline-1-carboxylic acid;pentakis(isoquinoline-3-carboxylic acid);1-(2-methylbenzene-6-id-1-yl)pyrazole;1-(3-methylbenzene-6-id-1-yl)pyrazole;1-(4-methylbenzene-6-id-1-yl)pyrazole;4-methyl-1-(3-methylbenzene-6-id-1-yl)pyrazole;1-phenylpyrazole
CID 157074005

Frequently Asked Questions

What is the IUPAC name of 6-[(6-chloro-2-cyclopropylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid;6-[(2,6-diphenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid;tris(6-[(6-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid);sulfur dioxide;sulfur monoxide?
The IUPAC name of 6-[(6-chloro-2-cyclopropylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid;6-[(2,6-diphenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid;tris(6-[(6-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid);sulfur dioxide;sulfur monoxide (CID 159843861) is 6-[(6-chloro-2-cyclopropylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid;6-[(2,6-diphenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid;tris(6-[(6-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid);sulfur dioxide;sulfur monoxide.
What is the SMILES notation for 6-[(6-chloro-2-cyclopropylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid;6-[(2,6-diphenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid;tris(6-[(6-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid);sulfur dioxide;sulfur monoxide?
The canonical SMILES for 6-[(6-chloro-2-cyclopropylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid;6-[(2,6-diphenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid;tris(6-[(6-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid);sulfur dioxide;sulfur monoxide is Cc1ccc2c(Cc3cccc(C(=O)O)n3)c(-c3ccccc3)nn2c1.Cc1ccc2c(Cc3cccc(C(=O)O)n3)c(-c3ccccc3)nn2c1.Cc1ccc2c(Cc3cccc(C(=O)O)n3)c(-c3ccccc3)nn2c1.O=C(O)c1cccc(Cc2c(-c3ccccc3)nn3cc(-c4ccccc4)ccc23)n1.O=C(O)c1cccc(Cc2c(C3CC3)nn3cc(Cl)ccc23)n1.O=S.O=S=O.
What is the InChIKey of 6-[(6-chloro-2-cyclopropylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid;6-[(2,6-diphenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid;tris(6-[(6-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid);sulfur dioxide;sulfur monoxide?
The InChIKey is NPAQACKKHUYUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N3O2.3C21H17N3O2.C17H14ClN3O2.O2S.OS/c30-26(31)23-13-7-12-21(27-23)16-22-24-15-14-20(18-8-3-1-4-9-18)17-29(24)28-25(22)19-10-5-2-6-11-19;3*1-14-10-11-19-17(12-16-8-5-9-18(22-16)21(25)26)20(23-24(19)13-14)15-6-3-2-4-7-15;18-11-6-7-15-13(16(10-4-5-10)20-21(15)9-11)8-12-2-1-3-14(19-12)17(22)23;1-3-2;1-2/h1-15,17H,16H2,(H,30,31);3*2-11,13H,12H2,1H3,(H,25,26);1-3,6-7,9-10H,4-5,8H2,(H,22,23);;.
What are the key properties of 6-[(6-chloro-2-cyclopropylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid;6-[(2,6-diphenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid;tris(6-[(6-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid);sulfur dioxide;sulfur monoxide?
6-[(6-chloro-2-cyclopropylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid;6-[(2,6-diphenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid;tris(6-[(6-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid);sulfur dioxide;sulfur monoxide has a molecular weight of 1875.52 g/mol, XLogP of 19.88, 21 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-chloro-2-cyclopropylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid;6-[(2,6-diphenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid;tris(6-[(6-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid);sulfur dioxide;sulfur monoxide is sourced from PubChem (CID 159843861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).