3-[[1-(2-cyclopentylethyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(1-cyclopropyl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[1-(2,2-dimethylpropyl)-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-(furan-2-ylmethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-methoxyethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3-methylphenyl)methyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;methane

C132H122F7N21O16 — CID 159326006

IUPAC3-[[1-(2-cyclopentylethyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(1-cyclopropyl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[1-(2,2-dimethylpropyl)-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-(furan-2-ylmethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-methoxyethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3-methylphenyl)methyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;methane
SMILESC.CC(C)(C)Cn1nc(Cc2cnccc2C(=O)O)c2cc(F)ccc21.COCCn1nc(Cc2cnccc2C(=O)O)c2cc(F)ccc21.Cc1cc(F)cc2c(Cc3cnccc3C(=O)O)nn(C)c12.Cc1cccc(Cn2nc(Cc3cnccc3C(=O)O)c3cc(F)ccc32)c1.O=C(O)c1ccncc1Cc1nn(C2CC2)c2ccc(F)cc12.O=C(O)c1ccncc1Cc1nn(CCC2CCCC2)c2ccc(F)cc12.O=C(O)c1ccncc1Cc1nn(Cc2ccco2)c2ccc(F)cc12
InChIInChI=1S/C22H18FN3O2.C21H22FN3O2.C19H14FN3O3.C19H20FN3O2.C17H16FN3O3.C17H14FN3O2.C16H14FN3O2.CH4/c1-14-3-2-4-15(9-14)13-26-21-6-5-17(23)11-19(21)20(25-26)10-16-12-24-8-7-18(16)22(27)28;22-16-5-6-20-18(12-16)19(11-15-13-23-9-7-17(15)21(26)27)24-25(20)10-8-14-3-1-2-4-14;20-13-3-4-18-16(9-13)17(22-23(18)11-14-2-1-7-26-14)8-12-10-21-6-5-15(12)19(24)25;1-19(2,3)11-23-17-5-4-13(20)9-15(17)16(22-23)8-12-10-21-7-6-14(12)18(24)25;1-24-7-6-21-16-3-2-12(18)9-14(16)15(20-21)8-11-10-19-5-4-13(11)17(22)23;18-11-1-4-16-14(8-11)15(20-21(16)12-2-3-12)7-10-9-19-6-5-13(10)17(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;/h2-9,11-12H,10,13H2,1H3,(H,27,28);5-7,9,12-14H,1-4,8,10-11H2,(H,26,27);1-7,9-10H,8,11H2,(H,24,25);4-7,9-10H,8,11H2,1-3H3,(H,24,25);2-5,9-10H,6-8H2,1H3,(H,22,23);1,4-6,8-9,12H,2-3,7H2,(H,22,23);3-5,7-8H,6H2,1-2H3,(H,21,22);1H4
InChIKeyLEJJAKTYQYJLPV-UHFFFAOYSA-N
MW2391.54 g/mol
LogP25.10
Rot. Bonds33

About 3-[[1-(2-cyclopentylethyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(1-cyclopropyl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[1-(2,2-dimethylpropyl)-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-(furan-2-ylmethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-methoxyethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3-methylphenyl)methyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;methane

3-[[1-(2-cyclopentylethyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(1-cyclopropyl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[1-(2,2-dimethylpropyl)-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-(furan-2-ylmethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-methoxyethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3-methylphenyl)methyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;methane (PubChem CID 159326006) has the molecular formula C132H122F7N21O16 and a molecular weight of 2391.54 g/mol. Its IUPAC name is 3-[[1-(2-cyclopentylethyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(1-cyclopropyl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[1-(2,2-dimethylpropyl)-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-(furan-2-ylmethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-methoxyethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3-methylphenyl)methyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;methane.

Molecular Properties

Compound Name3-[[1-(2-cyclopentylethyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(1-cyclopropyl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[1-(2,2-dimethylpropyl)-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-(furan-2-ylmethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-methoxyethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3-methylphenyl)methyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;methane
PubChem CID159326006
Molecular FormulaC132H122F7N21O16
Molecular Weight2391.54 g/mol
Exact Mass2389.93
IUPAC Name3-[[1-(2-cyclopentylethyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(1-cyclopropyl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[1-(2,2-dimethylpropyl)-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-(furan-2-ylmethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-methoxyethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3-methylphenyl)methyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;methane
SMILESC.CC(C)(C)Cn1nc(Cc2cnccc2C(=O)O)c2cc(F)ccc21.COCCn1nc(Cc2cnccc2C(=O)O)c2cc(F)ccc21.Cc1cc(F)cc2c(Cc3cnccc3C(=O)O)nn(C)c12.Cc1cccc(Cn2nc(Cc3cnccc3C(=O)O)c3cc(F)ccc32)c1.O=C(O)c1ccncc1Cc1nn(C2CC2)c2ccc(F)cc12.O=C(O)c1ccncc1Cc1nn(CCC2CCCC2)c2ccc(F)cc12.O=C(O)c1ccncc1Cc1nn(Cc2ccco2)c2ccc(F)cc12
InChIInChI=1S/C22H18FN3O2.C21H22FN3O2.C19H14FN3O3.C19H20FN3O2.C17H16FN3O3.C17H14FN3O2.C16H14FN3O2.CH4/c1-14-3-2-4-15(9-14)13-26-21-6-5-17(23)11-19(21)20(25-26)10-16-12-24-8-7-18(16)22(27)28;22-16-5-6-20-18(12-16)19(11-15-13-23-9-7-17(15)21(26)27)24-25(20)10-8-14-3-1-2-4-14;20-13-3-4-18-16(9-13)17(22-23(18)11-14-2-1-7-26-14)8-12-10-21-6-5-15(12)19(24)25;1-19(2,3)11-23-17-5-4-13(20)9-15(17)16(22-23)8-12-10-21-7-6-14(12)18(24)25;1-24-7-6-21-16-3-2-12(18)9-14(16)15(20-21)8-11-10-19-5-4-13(11)17(22)23;18-11-1-4-16-14(8-11)15(20-21(16)12-2-3-12)7-10-9-19-6-5-13(10)17(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;/h2-9,11-12H,10,13H2,1H3,(H,27,28);5-7,9,12-14H,1-4,8,10-11H2,(H,26,27);1-7,9-10H,8,11H2,(H,24,25);4-7,9-10H,8,11H2,1-3H3,(H,24,25);2-5,9-10H,6-8H2,1H3,(H,22,23);1,4-6,8-9,12H,2-3,7H2,(H,22,23);3-5,7-8H,6H2,1-2H3,(H,21,22);1H4
InChIKeyLEJJAKTYQYJLPV-UHFFFAOYSA-N
XLogP25.10
TPSA498.44 Ų
H-Bond Donors7
H-Bond Acceptors30
Rotatable Bonds33
Heavy Atoms176
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002391.54
LogP ≤ 525.10
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1030

Analyze 3-[[1-(2-cyclopentylethyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(1-cyclopropyl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[1-(2,2-dimethylpropyl)-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-(furan-2-ylmethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-methoxyethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3-methylphenyl)methyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;methane with MolForge

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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
1-(3,4-Difluorophenyl)indazole-5-carboxylic acid;1-(3-fluorophenyl)indazole-5-carboxylic acid;1-(4-fluorophenyl)indazole-5-carboxylic acid;1-(2-methoxy-4-pyridinyl)indole-5-carboxylic acid;1-[4-(trifluoromethyl)phenyl]indazole-5-carboxylic acid
CID 157275312
6-(5-cyclopropyl-2-methylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-(2,5-dimethylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-(2,6-dimethylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-(5-methoxy-2-methylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-(6-methoxy-2-methylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[2-methyl-5-(trifluoromethoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 157363888
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
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-[[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
1-(3,4-Difluorophenyl)indazole-5-carboxylic acid;1-(3-fluorophenyl)indazole-5-carboxylic acid;1-(4-fluorophenyl)indazole-5-carboxylic acid;1-(2-methoxy-4-pyridinyl)indazole-5-carboxylic acid;1-[4-(trifluoromethyl)phenyl]indazole-5-carboxylic acid
CID 158912201
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

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2-cyclopentylethyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(1-cyclopropyl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[1-(2,2-dimethylpropyl)-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-(furan-2-ylmethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-methoxyethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3-methylphenyl)methyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;methane?
The IUPAC name of 3-[[1-(2-cyclopentylethyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(1-cyclopropyl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[1-(2,2-dimethylpropyl)-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-(furan-2-ylmethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-methoxyethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3-methylphenyl)methyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;methane (CID 159326006) is 3-[[1-(2-cyclopentylethyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(1-cyclopropyl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[1-(2,2-dimethylpropyl)-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-(furan-2-ylmethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-methoxyethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3-methylphenyl)methyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;methane.
What is the SMILES notation for 3-[[1-(2-cyclopentylethyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(1-cyclopropyl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[1-(2,2-dimethylpropyl)-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-(furan-2-ylmethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-methoxyethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3-methylphenyl)methyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;methane?
The canonical SMILES for 3-[[1-(2-cyclopentylethyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(1-cyclopropyl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[1-(2,2-dimethylpropyl)-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-(furan-2-ylmethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-methoxyethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3-methylphenyl)methyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;methane is C.CC(C)(C)Cn1nc(Cc2cnccc2C(=O)O)c2cc(F)ccc21.COCCn1nc(Cc2cnccc2C(=O)O)c2cc(F)ccc21.Cc1cc(F)cc2c(Cc3cnccc3C(=O)O)nn(C)c12.Cc1cccc(Cn2nc(Cc3cnccc3C(=O)O)c3cc(F)ccc32)c1.O=C(O)c1ccncc1Cc1nn(C2CC2)c2ccc(F)cc12.O=C(O)c1ccncc1Cc1nn(CCC2CCCC2)c2ccc(F)cc12.O=C(O)c1ccncc1Cc1nn(Cc2ccco2)c2ccc(F)cc12.
What is the InChIKey of 3-[[1-(2-cyclopentylethyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(1-cyclopropyl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[1-(2,2-dimethylpropyl)-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-(furan-2-ylmethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-methoxyethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3-methylphenyl)methyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;methane?
The InChIKey is LEJJAKTYQYJLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O2.C21H22FN3O2.C19H14FN3O3.C19H20FN3O2.C17H16FN3O3.C17H14FN3O2.C16H14FN3O2.CH4/c1-14-3-2-4-15(9-14)13-26-21-6-5-17(23)11-19(21)20(25-26)10-16-12-24-8-7-18(16)22(27)28;22-16-5-6-20-18(12-16)19(11-15-13-23-9-7-17(15)21(26)27)24-25(20)10-8-14-3-1-2-4-14;20-13-3-4-18-16(9-13)17(22-23(18)11-14-2-1-7-26-14)8-12-10-21-6-5-15(12)19(24)25;1-19(2,3)11-23-17-5-4-13(20)9-15(17)16(22-23)8-12-10-21-7-6-14(12)18(24)25;1-24-7-6-21-16-3-2-12(18)9-14(16)15(20-21)8-11-10-19-5-4-13(11)17(22)23;18-11-1-4-16-14(8-11)15(20-21(16)12-2-3-12)7-10-9-19-6-5-13(10)17(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;/h2-9,11-12H,10,13H2,1H3,(H,27,28);5-7,9,12-14H,1-4,8,10-11H2,(H,26,27);1-7,9-10H,8,11H2,(H,24,25);4-7,9-10H,8,11H2,1-3H3,(H,24,25);2-5,9-10H,6-8H2,1H3,(H,22,23);1,4-6,8-9,12H,2-3,7H2,(H,22,23);3-5,7-8H,6H2,1-2H3,(H,21,22);1H4.
What are the key properties of 3-[[1-(2-cyclopentylethyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(1-cyclopropyl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[1-(2,2-dimethylpropyl)-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-(furan-2-ylmethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-methoxyethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3-methylphenyl)methyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;methane?
3-[[1-(2-cyclopentylethyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(1-cyclopropyl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[1-(2,2-dimethylpropyl)-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-(furan-2-ylmethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-methoxyethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3-methylphenyl)methyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;methane has a molecular weight of 2391.54 g/mol, XLogP of 25.10, 33 rotatable bonds, 7 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2-cyclopentylethyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(1-cyclopropyl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[1-(2,2-dimethylpropyl)-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-(furan-2-ylmethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-methoxyethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3-methylphenyl)methyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;methane is sourced from PubChem (CID 159326006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).