3-[[5-fluoro-1-[(3S)-oxolan-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3S)-pyrrolidin-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3R)-pyrrolidin-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-[(3S)-oxolan-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid

C73H69F3N14O10 — CID 158306197

IUPAC3-[[5-fluoro-1-[(3S)-oxolan-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3S)-pyrrolidin-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3R)-pyrrolidin-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-[(3S)-oxolan-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid
SMILESCc1ccc2c(c1)c(Cc1cnccc1C(=O)O)nn2[C@H]1CCOC1.O=C(O)c1ccncc1Cc1nn([C@@H]2CCNC2)c2ccc(F)cc12.O=C(O)c1ccncc1Cc1nn([C@H]2CCNC2)c2ccc(F)cc12.O=C(O)c1ccncc1Cc1nn([C@H]2CCOC2)c2ccc(F)cc12
InChIInChI=1S/C19H19N3O3.2C18H17FN4O2.C18H16FN3O3/c1-12-2-3-18-16(8-12)17(21-22(18)14-5-7-25-11-14)9-13-10-20-6-4-15(13)19(23)24;2*19-12-1-2-17-15(8-12)16(22-23(17)13-3-5-21-10-13)7-11-9-20-6-4-14(11)18(24)25;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/h2-4,6,8,10,14H,5,7,9,11H2,1H3,(H,23,24);2*1-2,4,6,8-9,13,21H,3,5,7,10H2,(H,24,25);1-3,5,8-9,13H,4,6-7,10H2,(H,23,24)/t14-;3*13-/m0100/s1
InChIKeyGNCMJRAGANRQTI-VAMODKKBSA-N
MW1359.44 g/mol
LogP10.60
Rot. Bonds16

About 3-[[5-fluoro-1-[(3S)-oxolan-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3S)-pyrrolidin-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3R)-pyrrolidin-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-[(3S)-oxolan-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid

3-[[5-fluoro-1-[(3S)-oxolan-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3S)-pyrrolidin-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3R)-pyrrolidin-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-[(3S)-oxolan-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid (PubChem CID 158306197) has the molecular formula C73H69F3N14O10 and a molecular weight of 1359.44 g/mol. Its IUPAC name is 3-[[5-fluoro-1-[(3S)-oxolan-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3S)-pyrrolidin-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3R)-pyrrolidin-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-[(3S)-oxolan-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[[5-fluoro-1-[(3S)-oxolan-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3S)-pyrrolidin-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3R)-pyrrolidin-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-[(3S)-oxolan-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid
PubChem CID158306197
Molecular FormulaC73H69F3N14O10
Molecular Weight1359.44 g/mol
Exact Mass1358.53
IUPAC Name3-[[5-fluoro-1-[(3S)-oxolan-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3S)-pyrrolidin-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3R)-pyrrolidin-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-[(3S)-oxolan-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid
SMILESCc1ccc2c(c1)c(Cc1cnccc1C(=O)O)nn2[C@H]1CCOC1.O=C(O)c1ccncc1Cc1nn([C@@H]2CCNC2)c2ccc(F)cc12.O=C(O)c1ccncc1Cc1nn([C@H]2CCNC2)c2ccc(F)cc12.O=C(O)c1ccncc1Cc1nn([C@H]2CCOC2)c2ccc(F)cc12
InChIInChI=1S/C19H19N3O3.2C18H17FN4O2.C18H16FN3O3/c1-12-2-3-18-16(8-12)17(21-22(18)14-5-7-25-11-14)9-13-10-20-6-4-15(13)19(23)24;2*19-12-1-2-17-15(8-12)16(22-23(17)13-3-5-21-10-13)7-11-9-20-6-4-14(11)18(24)25;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/h2-4,6,8,10,14H,5,7,9,11H2,1H3,(H,23,24);2*1-2,4,6,8-9,13,21H,3,5,7,10H2,(H,24,25);1-3,5,8-9,13H,4,6-7,10H2,(H,23,24)/t14-;3*13-/m0100/s1
InChIKeyGNCMJRAGANRQTI-VAMODKKBSA-N
XLogP10.60
TPSA314.56 Ų
H-Bond Donors6
H-Bond Acceptors20
Rotatable Bonds16
Heavy Atoms100
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001359.44
LogP ≤ 510.60
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1020

Analyze 3-[[5-fluoro-1-[(3S)-oxolan-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3S)-pyrrolidin-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3R)-pyrrolidin-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-[(3S)-oxolan-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid with MolForge

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Related Compounds

methyl 2-[2-[[3-(trifluoromethyl)phenyl]methyl]indazol-4-yl]-1H-pyridine-2-carboxylate;2-[2-[[3-(trifluoromethyl)phenyl]methyl]indazol-4-yl]pyridine-4-carboxylic acid
CID 87301678
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
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
N-cyano-3-[[5-fluoro-1-[2-(4-fluoro-4-methylpiperidin-1-yl)ethyl]indazol-3-yl]methyl]pyridine-4-carboxamide;3-[[1-[2-(4,4-difluoropiperidin-1-yl)ethyl]-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid
CID 157853302
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-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(2-methylpyrazol-3-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;6-methyl-2-(2-methylpyrazol-3-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylic acid
CID 158749894
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

Frequently Asked Questions

What is the IUPAC name of 3-[[5-fluoro-1-[(3S)-oxolan-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3S)-pyrrolidin-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3R)-pyrrolidin-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-[(3S)-oxolan-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid?
The IUPAC name of 3-[[5-fluoro-1-[(3S)-oxolan-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3S)-pyrrolidin-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3R)-pyrrolidin-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-[(3S)-oxolan-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid (CID 158306197) is 3-[[5-fluoro-1-[(3S)-oxolan-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3S)-pyrrolidin-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3R)-pyrrolidin-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-[(3S)-oxolan-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[[5-fluoro-1-[(3S)-oxolan-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3S)-pyrrolidin-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3R)-pyrrolidin-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-[(3S)-oxolan-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[[5-fluoro-1-[(3S)-oxolan-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3S)-pyrrolidin-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3R)-pyrrolidin-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-[(3S)-oxolan-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid is Cc1ccc2c(c1)c(Cc1cnccc1C(=O)O)nn2[C@H]1CCOC1.O=C(O)c1ccncc1Cc1nn([C@@H]2CCNC2)c2ccc(F)cc12.O=C(O)c1ccncc1Cc1nn([C@H]2CCNC2)c2ccc(F)cc12.O=C(O)c1ccncc1Cc1nn([C@H]2CCOC2)c2ccc(F)cc12.
What is the InChIKey of 3-[[5-fluoro-1-[(3S)-oxolan-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3S)-pyrrolidin-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3R)-pyrrolidin-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-[(3S)-oxolan-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid?
The InChIKey is GNCMJRAGANRQTI-VAMODKKBSA-N. The full InChI is InChI=1S/C19H19N3O3.2C18H17FN4O2.C18H16FN3O3/c1-12-2-3-18-16(8-12)17(21-22(18)14-5-7-25-11-14)9-13-10-20-6-4-15(13)19(23)24;2*19-12-1-2-17-15(8-12)16(22-23(17)13-3-5-21-10-13)7-11-9-20-6-4-14(11)18(24)25;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/h2-4,6,8,10,14H,5,7,9,11H2,1H3,(H,23,24);2*1-2,4,6,8-9,13,21H,3,5,7,10H2,(H,24,25);1-3,5,8-9,13H,4,6-7,10H2,(H,23,24)/t14-;3*13-/m0100/s1.
What are the key properties of 3-[[5-fluoro-1-[(3S)-oxolan-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3S)-pyrrolidin-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3R)-pyrrolidin-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-[(3S)-oxolan-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid?
3-[[5-fluoro-1-[(3S)-oxolan-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3S)-pyrrolidin-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3R)-pyrrolidin-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-[(3S)-oxolan-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid has a molecular weight of 1359.44 g/mol, XLogP of 10.60, 16 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-fluoro-1-[(3S)-oxolan-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3S)-pyrrolidin-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3R)-pyrrolidin-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-[(3S)-oxolan-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 158306197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).