3-[(1-cyclobutyl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[1-(3,3-difluoro-2-hydroxybutyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-fluoro-1,7-dimethylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(oxolan-3-yl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-fluoro-1-propylindol-3-yl)methyl]pyridine-4-carboxylic acid

C108H100F8N18O15 — CID 159277426

IUPAC3-[(1-cyclobutyl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[1-(3,3-difluoro-2-hydroxybutyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-fluoro-1,7-dimethylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(oxolan-3-yl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-fluoro-1-propylindol-3-yl)methyl]pyridine-4-carboxylic acid
SMILESCC(F)(F)C(O)Cn1nc(Cc2cnccc2C(=O)O)c2cc(F)ccc21.CCCn1cc(Cc2cnccc2C(=O)O)c2cc(F)ccc21.Cc1cc(F)cc2c(Cc3cnccc3C(=O)O)nn(C)c12.O=C(O)c1ccncc1Cc1nn(C2CCC2)c2ccc(F)cc12.O=C(O)c1ccncc1Cc1nn(C2CCOC2)c2ccc(F)cc12.O=C(O)c1ccncc1Cc1nn(CCN2CCOCC2)c2ccc(F)cc12
InChIInChI=1S/C20H21FN4O3.C18H16F3N3O3.C18H16FN3O3.C18H16FN3O2.C18H17FN2O2.C16H14FN3O2/c21-15-1-2-19-17(12-15)18(11-14-13-22-4-3-16(14)20(26)27)23-25(19)6-5-24-7-9-28-10-8-24;1-18(20,21)16(25)9-24-15-3-2-11(19)7-13(15)14(23-24)6-10-8-22-5-4-12(10)17(26)27;19-12-1-2-17-15(8-12)16(21-22(17)13-4-6-25-10-13)7-11-9-20-5-3-14(11)18(23)24;19-12-4-5-17-15(9-12)16(21-22(17)13-2-1-3-13)8-11-10-20-7-6-14(11)18(23)24;1-2-7-21-11-13(16-9-14(19)3-4-17(16)21)8-12-10-20-6-5-15(12)18(22)23;1-9-5-11(17)7-13-14(19-20(2)15(9)13)6-10-8-18-4-3-12(10)16(21)22/h1-4,12-13H,5-11H2,(H,26,27);2-5,7-8,16,25H,6,9H2,1H3,(H,26,27);1-3,5,8-9,13H,4,6-7,10H2,(H,23,24);4-7,9-10,13H,1-3,8H2,(H,23,24);3-6,9-11H,2,7-8H2,1H3,(H,22,23);3-5,7-8H,6H2,1-2H3,(H,21,22)
InChIKeyKYMJYHQHQILBEK-UHFFFAOYSA-N
MW2042.08 g/mol
LogP18.05
Rot. Bonds28

About 3-[(1-cyclobutyl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[1-(3,3-difluoro-2-hydroxybutyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-fluoro-1,7-dimethylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(oxolan-3-yl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-fluoro-1-propylindol-3-yl)methyl]pyridine-4-carboxylic acid

3-[(1-cyclobutyl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[1-(3,3-difluoro-2-hydroxybutyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-fluoro-1,7-dimethylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(oxolan-3-yl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-fluoro-1-propylindol-3-yl)methyl]pyridine-4-carboxylic acid (PubChem CID 159277426) has the molecular formula C108H100F8N18O15 and a molecular weight of 2042.08 g/mol. Its IUPAC name is 3-[(1-cyclobutyl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[1-(3,3-difluoro-2-hydroxybutyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-fluoro-1,7-dimethylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(oxolan-3-yl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-fluoro-1-propylindol-3-yl)methyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[(1-cyclobutyl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[1-(3,3-difluoro-2-hydroxybutyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-fluoro-1,7-dimethylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(oxolan-3-yl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-fluoro-1-propylindol-3-yl)methyl]pyridine-4-carboxylic acid
PubChem CID159277426
Molecular FormulaC108H100F8N18O15
Molecular Weight2042.08 g/mol
Exact Mass2040.75
IUPAC Name3-[(1-cyclobutyl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[1-(3,3-difluoro-2-hydroxybutyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-fluoro-1,7-dimethylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(oxolan-3-yl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-fluoro-1-propylindol-3-yl)methyl]pyridine-4-carboxylic acid
SMILESCC(F)(F)C(O)Cn1nc(Cc2cnccc2C(=O)O)c2cc(F)ccc21.CCCn1cc(Cc2cnccc2C(=O)O)c2cc(F)ccc21.Cc1cc(F)cc2c(Cc3cnccc3C(=O)O)nn(C)c12.O=C(O)c1ccncc1Cc1nn(C2CCC2)c2ccc(F)cc12.O=C(O)c1ccncc1Cc1nn(C2CCOC2)c2ccc(F)cc12.O=C(O)c1ccncc1Cc1nn(CCN2CCOCC2)c2ccc(F)cc12
InChIInChI=1S/C20H21FN4O3.C18H16F3N3O3.C18H16FN3O3.C18H16FN3O2.C18H17FN2O2.C16H14FN3O2/c21-15-1-2-19-17(12-15)18(11-14-13-22-4-3-16(14)20(26)27)23-25(19)6-5-24-7-9-28-10-8-24;1-18(20,21)16(25)9-24-15-3-2-11(19)7-13(15)14(23-24)6-10-8-22-5-4-12(10)17(26)27;19-12-1-2-17-15(8-12)16(21-22(17)13-4-6-25-10-13)7-11-9-20-5-3-14(11)18(23)24;19-12-4-5-17-15(9-12)16(21-22(17)13-2-1-3-13)8-11-10-20-7-6-14(11)18(23)24;1-2-7-21-11-13(16-9-14(19)3-4-17(16)21)8-12-10-20-6-5-15(12)18(22)23;1-9-5-11(17)7-13-14(19-20(2)15(9)13)6-10-8-18-4-3-12(10)16(21)22/h1-4,12-13H,5-11H2,(H,26,27);2-5,7-8,16,25H,6,9H2,1H3,(H,26,27);1-3,5,8-9,13H,4,6-7,10H2,(H,23,24);4-7,9-10,13H,1-3,8H2,(H,23,24);3-6,9-11H,2,7-8H2,1H3,(H,22,23);3-5,7-8H,6H2,1-2H3,(H,21,22)
InChIKeyKYMJYHQHQILBEK-UHFFFAOYSA-N
XLogP18.05
TPSA437.10 Ų
H-Bond Donors7
H-Bond Acceptors27
Rotatable Bonds28
Heavy Atoms149
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002042.08
LogP ≤ 518.05
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1027

Analyze 3-[(1-cyclobutyl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[1-(3,3-difluoro-2-hydroxybutyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-fluoro-1,7-dimethylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(oxolan-3-yl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-fluoro-1-propylindol-3-yl)methyl]pyridine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[5-(1,1-Difluoroethyl)-1-methylindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[2-[2-(dimethylamino)ethoxy]ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(1,5-dimethylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(4-fluoro-1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(5-fluoro-1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[1-(2-methoxyethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid
CID 157265888
Bis(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;bis(3-[[5-methyl-1-(3,3,3-trifluoropropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid)
CID 157568205
(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-4,4-difluoro-5,5a,6,6a-tetrahydrocyclopropa[g]indazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3-methylindazol-1-yl)pentan-2-one
CID 157669572
1-(3,4-Difluorophenyl)indazole-5-carboxylic acid;1-(3-fluorophenyl)indazole-5-carboxylic acid;1-(2-methoxy-4-pyridinyl)indole-5-carboxylic acid;1-(6-methoxy-3-pyridinyl)indole-5-carboxylic acid;1-(6-methyl-3-pyridinyl)indole-5-carboxylic acid;1-[4-(trifluoromethyl)phenyl]indazole-5-carboxylic acid
CID 157686472
(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[6-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-6-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)pyrazole-4-carboxylic acid;1-[(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4-methylquinolin-2-one
CID 157798362
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-[[5-fluoro-1-[2-(1-methylpiperidin-4-yl)ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-(3,3,3-trifluoropropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid
CID 158141703
3-[(1-Benzyl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(1-butan-2-yl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[1-[2-[2-(dimethylamino)ethoxy]ethyl]-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[5-(dimethylamino)pentyl]-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-methylpropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2,2,2-trifluoroethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid
CID 158456815
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
3-[[1-(Cyclopropylmethyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-(1,1-difluoroethyl)-1-methylindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[2-[2-(dimethylamino)ethoxy]ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(1,5-dimethylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(3-methoxypropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(4-fluoro-1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(5-fluoro-1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[1-(2-methoxyethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid
CID 158553357
3-[[1-[5-(Dimethylamino)pentyl]-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(oxolan-2-ylmethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-fluoro-1-pentylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-phenylethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2,2,2-trifluoroethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(7-methyl-1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid
CID 158802724
1-(3-Fluorophenyl)indazole-5-carboxylic acid;1-(2-methoxy-4-pyridinyl)indole-5-carboxylic acid;1-(6-methoxy-3-pyridinyl)indole-5-carboxylic acid;1-(6-methyl-3-pyridinyl)indole-5-carboxylic acid;1-pyridin-4-ylindole-5-carboxylic acid;1-[4-(trifluoromethyl)phenyl]indazole-5-carboxylic acid
CID 158879236
(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[6-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5-methyl-3-(trifluoromethyl)-4,6,7,7a-tetrahydro-3aH-pyrazolo[4,3-c]pyridin-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-6-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)pyrazole-4-carboxylic acid;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3-fluorophenyl)-2-oxopentyl]-3H-indol-2-one
CID 158945784

Frequently Asked Questions

What is the IUPAC name of 3-[(1-cyclobutyl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[1-(3,3-difluoro-2-hydroxybutyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-fluoro-1,7-dimethylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(oxolan-3-yl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-fluoro-1-propylindol-3-yl)methyl]pyridine-4-carboxylic acid?
The IUPAC name of 3-[(1-cyclobutyl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[1-(3,3-difluoro-2-hydroxybutyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-fluoro-1,7-dimethylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(oxolan-3-yl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-fluoro-1-propylindol-3-yl)methyl]pyridine-4-carboxylic acid (CID 159277426) is 3-[(1-cyclobutyl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[1-(3,3-difluoro-2-hydroxybutyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-fluoro-1,7-dimethylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(oxolan-3-yl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-fluoro-1-propylindol-3-yl)methyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[(1-cyclobutyl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[1-(3,3-difluoro-2-hydroxybutyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-fluoro-1,7-dimethylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(oxolan-3-yl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-fluoro-1-propylindol-3-yl)methyl]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[(1-cyclobutyl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[1-(3,3-difluoro-2-hydroxybutyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-fluoro-1,7-dimethylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(oxolan-3-yl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-fluoro-1-propylindol-3-yl)methyl]pyridine-4-carboxylic acid is CC(F)(F)C(O)Cn1nc(Cc2cnccc2C(=O)O)c2cc(F)ccc21.CCCn1cc(Cc2cnccc2C(=O)O)c2cc(F)ccc21.Cc1cc(F)cc2c(Cc3cnccc3C(=O)O)nn(C)c12.O=C(O)c1ccncc1Cc1nn(C2CCC2)c2ccc(F)cc12.O=C(O)c1ccncc1Cc1nn(C2CCOC2)c2ccc(F)cc12.O=C(O)c1ccncc1Cc1nn(CCN2CCOCC2)c2ccc(F)cc12.
What is the InChIKey of 3-[(1-cyclobutyl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[1-(3,3-difluoro-2-hydroxybutyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-fluoro-1,7-dimethylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(oxolan-3-yl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-fluoro-1-propylindol-3-yl)methyl]pyridine-4-carboxylic acid?
The InChIKey is KYMJYHQHQILBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O3.C18H16F3N3O3.C18H16FN3O3.C18H16FN3O2.C18H17FN2O2.C16H14FN3O2/c21-15-1-2-19-17(12-15)18(11-14-13-22-4-3-16(14)20(26)27)23-25(19)6-5-24-7-9-28-10-8-24;1-18(20,21)16(25)9-24-15-3-2-11(19)7-13(15)14(23-24)6-10-8-22-5-4-12(10)17(26)27;19-12-1-2-17-15(8-12)16(21-22(17)13-4-6-25-10-13)7-11-9-20-5-3-14(11)18(23)24;19-12-4-5-17-15(9-12)16(21-22(17)13-2-1-3-13)8-11-10-20-7-6-14(11)18(23)24;1-2-7-21-11-13(16-9-14(19)3-4-17(16)21)8-12-10-20-6-5-15(12)18(22)23;1-9-5-11(17)7-13-14(19-20(2)15(9)13)6-10-8-18-4-3-12(10)16(21)22/h1-4,12-13H,5-11H2,(H,26,27);2-5,7-8,16,25H,6,9H2,1H3,(H,26,27);1-3,5,8-9,13H,4,6-7,10H2,(H,23,24);4-7,9-10,13H,1-3,8H2,(H,23,24);3-6,9-11H,2,7-8H2,1H3,(H,22,23);3-5,7-8H,6H2,1-2H3,(H,21,22).
What are the key properties of 3-[(1-cyclobutyl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[1-(3,3-difluoro-2-hydroxybutyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-fluoro-1,7-dimethylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(oxolan-3-yl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-fluoro-1-propylindol-3-yl)methyl]pyridine-4-carboxylic acid?
3-[(1-cyclobutyl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[1-(3,3-difluoro-2-hydroxybutyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-fluoro-1,7-dimethylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(oxolan-3-yl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-fluoro-1-propylindol-3-yl)methyl]pyridine-4-carboxylic acid has a molecular weight of 2042.08 g/mol, XLogP of 18.05, 28 rotatable bonds, 7 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-cyclobutyl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[1-(3,3-difluoro-2-hydroxybutyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-fluoro-1,7-dimethylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(oxolan-3-yl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-fluoro-1-propylindol-3-yl)methyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 159277426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).