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

C115H111F8N19O13 — CID 158802724

IUPAC3-[[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
SMILESCCCCCn1nc(Cc2cnccc2C(=O)O)c2cc(F)ccc21.CCCn1nc(Cc2cnccc2C(=O)O)c2cccc(C)c21.CN(C)CCCCCn1nc(Cc2cnccc2C(=O)O)c2cc(F)ccc21.O=C(O)c1ccncc1Cc1nn(CC(F)(F)F)c2ccc(F)cc12.O=C(O)c1ccncc1Cc1nn(CC2CCCO2)c2ccc(F)cc12.O=C(O)c1ccncc1Cc1nn(CCc2ccccc2)c2ccc(F)cc12
InChIInChI=1S/C22H18FN3O2.C21H25FN4O2.C19H18FN3O3.C19H20FN3O2.C18H19N3O2.C16H11F4N3O2/c23-17-6-7-21-19(13-17)20(12-16-14-24-10-8-18(16)22(27)28)25-26(21)11-9-15-4-2-1-3-5-15;1-25(2)10-4-3-5-11-26-20-7-6-16(22)13-18(20)19(24-26)12-15-14-23-9-8-17(15)21(27)28;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;1-2-3-4-9-23-18-6-5-14(20)11-16(18)17(22-23)10-13-12-21-8-7-15(13)19(24)25;1-3-9-21-17-12(2)5-4-6-15(17)16(20-21)10-13-11-19-8-7-14(13)18(22)23;17-10-1-2-14-12(6-10)13(22-23(14)8-16(18,19)20)5-9-7-21-4-3-11(9)15(24)25/h1-8,10,13-14H,9,11-12H2,(H,27,28);6-9,13-14H,3-5,10-12H2,1-2H3,(H,27,28);3-6,9-10,14H,1-2,7-8,11H2,(H,24,25);5-8,11-12H,2-4,9-10H2,1H3,(H,24,25);4-8,11H,3,9-10H2,1-2H3,(H,22,23);1-4,6-7H,5,8H2,(H,24,25)
InChIKeyITRQQUFDCQBGAK-UHFFFAOYSA-N
MW2119.26 g/mol
LogP21.64
Rot. Bonds36

About 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

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 (PubChem CID 158802724) has the molecular formula C115H111F8N19O13 and a molecular weight of 2119.26 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[[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
PubChem CID158802724
Molecular FormulaC115H111F8N19O13
Molecular Weight2119.26 g/mol
Exact Mass2117.85
IUPAC Name3-[[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
SMILESCCCCCn1nc(Cc2cnccc2C(=O)O)c2cc(F)ccc21.CCCn1nc(Cc2cnccc2C(=O)O)c2cccc(C)c21.CN(C)CCCCCn1nc(Cc2cnccc2C(=O)O)c2cc(F)ccc21.O=C(O)c1ccncc1Cc1nn(CC(F)(F)F)c2ccc(F)cc12.O=C(O)c1ccncc1Cc1nn(CC2CCCO2)c2ccc(F)cc12.O=C(O)c1ccncc1Cc1nn(CCc2ccccc2)c2ccc(F)cc12
InChIInChI=1S/C22H18FN3O2.C21H25FN4O2.C19H18FN3O3.C19H20FN3O2.C18H19N3O2.C16H11F4N3O2/c23-17-6-7-21-19(13-17)20(12-16-14-24-10-8-18(16)22(27)28)25-26(21)11-9-15-4-2-1-3-5-15;1-25(2)10-4-3-5-11-26-20-7-6-16(22)13-18(20)19(24-26)12-15-14-23-9-8-17(15)21(27)28;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;1-2-3-4-9-23-18-6-5-14(20)11-16(18)17(22-23)10-13-12-21-8-7-15(13)19(24)25;1-3-9-21-17-12(2)5-4-6-15(17)16(20-21)10-13-11-19-8-7-14(13)18(22)23;17-10-1-2-14-12(6-10)13(22-23(14)8-16(18,19)20)5-9-7-21-4-3-11(9)15(24)25/h1-8,10,13-14H,9,11-12H2,(H,27,28);6-9,13-14H,3-5,10-12H2,1-2H3,(H,27,28);3-6,9-10,14H,1-2,7-8,11H2,(H,24,25);5-8,11-12H,2-4,9-10H2,1H3,(H,24,25);4-8,11H,3,9-10H2,1-2H3,(H,22,23);1-4,6-7H,5,8H2,(H,24,25)
InChIKeyITRQQUFDCQBGAK-UHFFFAOYSA-N
XLogP21.64
TPSA420.53 Ų
H-Bond Donors6
H-Bond Acceptors26
Rotatable Bonds36
Heavy Atoms155
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002119.26
LogP ≤ 521.64
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

Bis(3,5-bis(trifluoromethyl)pyrazol-1-ide);tetrakis((2-carboxyphenyl)-phenyl-(4-pyridin-4-ylphenyl)phosphanium);bis(copper(1+));tetrakis(iridium);tetrakis(2-phenylquinoline)
CID 91867871
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
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-methyl-3-pyridinyl)indole-5-carboxylic acid;1-[4-(trifluoromethyl)phenyl]indazole-5-carboxylic acid
CID 157454685
1-[2-(4-Fluorophenyl)ethyl]indazole-5-carboxylic acid;2-[2-(4-fluorophenyl)ethyl]indazole-5-carboxylic acid;1-[(4-fluorophenyl)methyl]indazole-6-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-5-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-6-carboxylic acid;1-(1-phenylethyl)indazole-5-carboxylic acid;2-(1-phenylethyl)indazole-5-carboxylic acid;1-[[3-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;1-[[4-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;2-[[3-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;2-[[4-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid
CID 157552402
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
ethyl acetate;ethyl 9-methylpyrido[3,4-b]indole-3-carboxylate;ethyl 3-(9-methylpyrido[3,4-b]indol-3-yl)-3-oxopropanoate;ethyl 9H-pyrido[3,4-b]indole-3-carboxylate;iodomethane;1-(9-methylpyrido[3,4-b]indol-3-yl)butane-1,3-dione;1-(9-methylpyrido[3,4-b]indol-3-yl)ethanone;9-methyl-3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrido[3,4-b]indole
CID 158126392
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCCn1nc(Cc2cnccc2C(=O)O)c2cc(F)ccc21.CCCn1nc(Cc2cnccc2C(=O)O)c2cccc(C)c21.CN(C)CCCCCn1nc(Cc2cnccc2C(=O)O)c2cc(F)ccc21.O=C(O)c1ccncc1Cc1nn(CC(F)(F)F)c2ccc(F)cc12.O=C(O)c1ccncc1Cc1nn(CC2CCCO2)c2ccc(F)cc12.O=C(O)c1ccncc1Cc1nn(CCc2ccccc2)c2ccc(F)cc12.
What is the InChIKey of 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?
The InChIKey is ITRQQUFDCQBGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O2.C21H25FN4O2.C19H18FN3O3.C19H20FN3O2.C18H19N3O2.C16H11F4N3O2/c23-17-6-7-21-19(13-17)20(12-16-14-24-10-8-18(16)22(27)28)25-26(21)11-9-15-4-2-1-3-5-15;1-25(2)10-4-3-5-11-26-20-7-6-16(22)13-18(20)19(24-26)12-15-14-23-9-8-17(15)21(27)28;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;1-2-3-4-9-23-18-6-5-14(20)11-16(18)17(22-23)10-13-12-21-8-7-15(13)19(24)25;1-3-9-21-17-12(2)5-4-6-15(17)16(20-21)10-13-11-19-8-7-14(13)18(22)23;17-10-1-2-14-12(6-10)13(22-23(14)8-16(18,19)20)5-9-7-21-4-3-11(9)15(24)25/h1-8,10,13-14H,9,11-12H2,(H,27,28);6-9,13-14H,3-5,10-12H2,1-2H3,(H,27,28);3-6,9-10,14H,1-2,7-8,11H2,(H,24,25);5-8,11-12H,2-4,9-10H2,1H3,(H,24,25);4-8,11H,3,9-10H2,1-2H3,(H,22,23);1-4,6-7H,5,8H2,(H,24,25).
What are the key properties of 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?
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 has a molecular weight of 2119.26 g/mol, XLogP of 21.64, 36 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158802724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).