3-[[5-fluoro-1-[2-(4-methylmorpholin-2-yl)ethyl]indazol-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-methyl-1-propylindol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-[(3S)-pyrrolidin-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-(3,3,3-trifluoropropyl)indol-3-yl]methyl]pyridine-4-carboxylic acid

C98H101F5N16O12 — CID 161116090

IUPAC3-[[5-fluoro-1-[2-(4-methylmorpholin-2-yl)ethyl]indazol-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-methyl-1-propylindol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-[(3S)-pyrrolidin-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-(3,3,3-trifluoropropyl)indol-3-yl]methyl]pyridine-4-carboxylic acid
SMILESCCCn1cc(Cc2cnccc2C(=O)O)c2cc(C)ccc21.CN1CCOC(CCn2nc(Cc3cnccc3C(=O)O)c3cc(F)ccc32)C1.Cc1ccc2c(c1)c(Cc1cnccc1C(=O)O)cn2CCC(F)(F)F.Cc1ccc2c(c1)c(Cc1cnccc1C(=O)O)nn2[C@H]1CCNC1.O=C(O)c1ccncc1Cc1nn(CCN2CCOCC2)c2ccc(F)cc12
InChIInChI=1S/C21H23FN4O3.C20H21FN4O3.C19H17F3N2O2.C19H20N4O2.C19H20N2O2/c1-25-8-9-29-16(13-25)5-7-26-20-3-2-15(22)11-18(20)19(24-26)10-14-12-23-6-4-17(14)21(27)28;21-15-1-2-19-17(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;1-12-2-3-17-16(8-12)14(11-24(17)7-5-19(20,21)22)9-13-10-23-6-4-15(13)18(25)26;1-12-2-3-18-16(8-12)17(22-23(18)14-4-6-21-11-14)9-13-10-20-7-5-15(13)19(24)25;1-3-8-21-12-15(17-9-13(2)4-5-18(17)21)10-14-11-20-7-6-16(14)19(22)23/h2-4,6,11-12,16H,5,7-10,13H2,1H3,(H,27,28);1-4,12-13H,5-11H2,(H,26,27);2-4,6,8,10-11H,5,7,9H2,1H3,(H,25,26);2-3,5,7-8,10,14,21H,4,6,9,11H2,1H3,(H,24,25);4-7,9,11-12H,3,8,10H2,1-2H3,(H,22,23)/t;;;14-;/m...0./s1
InChIKeyUKIHKQRWKXFOQK-OIMZYQOFSA-N
MW1789.98 g/mol
LogP15.96
Rot. Bonds26

About 3-[[5-fluoro-1-[2-(4-methylmorpholin-2-yl)ethyl]indazol-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-methyl-1-propylindol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-[(3S)-pyrrolidin-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-(3,3,3-trifluoropropyl)indol-3-yl]methyl]pyridine-4-carboxylic acid

3-[[5-fluoro-1-[2-(4-methylmorpholin-2-yl)ethyl]indazol-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-methyl-1-propylindol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-[(3S)-pyrrolidin-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-(3,3,3-trifluoropropyl)indol-3-yl]methyl]pyridine-4-carboxylic acid (PubChem CID 161116090) has the molecular formula C98H101F5N16O12 and a molecular weight of 1789.98 g/mol. Its IUPAC name is 3-[[5-fluoro-1-[2-(4-methylmorpholin-2-yl)ethyl]indazol-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-methyl-1-propylindol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-[(3S)-pyrrolidin-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-(3,3,3-trifluoropropyl)indol-3-yl]methyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[[5-fluoro-1-[2-(4-methylmorpholin-2-yl)ethyl]indazol-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-methyl-1-propylindol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-[(3S)-pyrrolidin-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-(3,3,3-trifluoropropyl)indol-3-yl]methyl]pyridine-4-carboxylic acid
PubChem CID161116090
Molecular FormulaC98H101F5N16O12
Molecular Weight1789.98 g/mol
Exact Mass1788.77
IUPAC Name3-[[5-fluoro-1-[2-(4-methylmorpholin-2-yl)ethyl]indazol-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-methyl-1-propylindol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-[(3S)-pyrrolidin-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-(3,3,3-trifluoropropyl)indol-3-yl]methyl]pyridine-4-carboxylic acid
SMILESCCCn1cc(Cc2cnccc2C(=O)O)c2cc(C)ccc21.CN1CCOC(CCn2nc(Cc3cnccc3C(=O)O)c3cc(F)ccc32)C1.Cc1ccc2c(c1)c(Cc1cnccc1C(=O)O)cn2CCC(F)(F)F.Cc1ccc2c(c1)c(Cc1cnccc1C(=O)O)nn2[C@H]1CCNC1.O=C(O)c1ccncc1Cc1nn(CCN2CCOCC2)c2ccc(F)cc12
InChIInChI=1S/C21H23FN4O3.C20H21FN4O3.C19H17F3N2O2.C19H20N4O2.C19H20N2O2/c1-25-8-9-29-16(13-25)5-7-26-20-3-2-15(22)11-18(20)19(24-26)10-14-12-23-6-4-17(14)21(27)28;21-15-1-2-19-17(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;1-12-2-3-17-16(8-12)14(11-24(17)7-5-19(20,21)22)9-13-10-23-6-4-15(13)18(25)26;1-12-2-3-18-16(8-12)17(22-23(18)14-4-6-21-11-14)9-13-10-20-7-5-15(13)19(24)25;1-3-8-21-12-15(17-9-13(2)4-5-18(17)21)10-14-11-20-7-6-16(14)19(22)23/h2-4,6,11-12,16H,5,7-10,13H2,1H3,(H,27,28);1-4,12-13H,5-11H2,(H,26,27);2-4,6,8,10-11H,5,7,9H2,1H3,(H,25,26);2-3,5,7-8,10,14,21H,4,6,9,11H2,1H3,(H,24,25);4-7,9,11-12H,3,8,10H2,1-2H3,(H,22,23)/t;;;14-;/m...0./s1
InChIKeyUKIHKQRWKXFOQK-OIMZYQOFSA-N
XLogP15.96
TPSA351.24 Ų
H-Bond Donors6
H-Bond Acceptors23
Rotatable Bonds26
Heavy Atoms131
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001789.98
LogP ≤ 515.96
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1023

Analyze 3-[[5-fluoro-1-[2-(4-methylmorpholin-2-yl)ethyl]indazol-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-methyl-1-propylindol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-[(3S)-pyrrolidin-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-(3,3,3-trifluoropropyl)indol-3-yl]methyl]pyridine-4-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-fluoro-1-[2-(4-methylmorpholin-2-yl)ethyl]indazol-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-methyl-1-propylindol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-[(3S)-pyrrolidin-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-(3,3,3-trifluoropropyl)indol-3-yl]methyl]pyridine-4-carboxylic acid?
The IUPAC name of 3-[[5-fluoro-1-[2-(4-methylmorpholin-2-yl)ethyl]indazol-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-methyl-1-propylindol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-[(3S)-pyrrolidin-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-(3,3,3-trifluoropropyl)indol-3-yl]methyl]pyridine-4-carboxylic acid (CID 161116090) is 3-[[5-fluoro-1-[2-(4-methylmorpholin-2-yl)ethyl]indazol-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-methyl-1-propylindol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-[(3S)-pyrrolidin-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-(3,3,3-trifluoropropyl)indol-3-yl]methyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[[5-fluoro-1-[2-(4-methylmorpholin-2-yl)ethyl]indazol-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-methyl-1-propylindol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-[(3S)-pyrrolidin-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-(3,3,3-trifluoropropyl)indol-3-yl]methyl]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[[5-fluoro-1-[2-(4-methylmorpholin-2-yl)ethyl]indazol-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-methyl-1-propylindol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-[(3S)-pyrrolidin-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-(3,3,3-trifluoropropyl)indol-3-yl]methyl]pyridine-4-carboxylic acid is CCCn1cc(Cc2cnccc2C(=O)O)c2cc(C)ccc21.CN1CCOC(CCn2nc(Cc3cnccc3C(=O)O)c3cc(F)ccc32)C1.Cc1ccc2c(c1)c(Cc1cnccc1C(=O)O)cn2CCC(F)(F)F.Cc1ccc2c(c1)c(Cc1cnccc1C(=O)O)nn2[C@H]1CCNC1.O=C(O)c1ccncc1Cc1nn(CCN2CCOCC2)c2ccc(F)cc12.
What is the InChIKey of 3-[[5-fluoro-1-[2-(4-methylmorpholin-2-yl)ethyl]indazol-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-methyl-1-propylindol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-[(3S)-pyrrolidin-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-(3,3,3-trifluoropropyl)indol-3-yl]methyl]pyridine-4-carboxylic acid?
The InChIKey is UKIHKQRWKXFOQK-OIMZYQOFSA-N. The full InChI is InChI=1S/C21H23FN4O3.C20H21FN4O3.C19H17F3N2O2.C19H20N4O2.C19H20N2O2/c1-25-8-9-29-16(13-25)5-7-26-20-3-2-15(22)11-18(20)19(24-26)10-14-12-23-6-4-17(14)21(27)28;21-15-1-2-19-17(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;1-12-2-3-17-16(8-12)14(11-24(17)7-5-19(20,21)22)9-13-10-23-6-4-15(13)18(25)26;1-12-2-3-18-16(8-12)17(22-23(18)14-4-6-21-11-14)9-13-10-20-7-5-15(13)19(24)25;1-3-8-21-12-15(17-9-13(2)4-5-18(17)21)10-14-11-20-7-6-16(14)19(22)23/h2-4,6,11-12,16H,5,7-10,13H2,1H3,(H,27,28);1-4,12-13H,5-11H2,(H,26,27);2-4,6,8,10-11H,5,7,9H2,1H3,(H,25,26);2-3,5,7-8,10,14,21H,4,6,9,11H2,1H3,(H,24,25);4-7,9,11-12H,3,8,10H2,1-2H3,(H,22,23)/t;;;14-;/m...0./s1.
What are the key properties of 3-[[5-fluoro-1-[2-(4-methylmorpholin-2-yl)ethyl]indazol-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-methyl-1-propylindol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-[(3S)-pyrrolidin-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-(3,3,3-trifluoropropyl)indol-3-yl]methyl]pyridine-4-carboxylic acid?
3-[[5-fluoro-1-[2-(4-methylmorpholin-2-yl)ethyl]indazol-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-methyl-1-propylindol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-[(3S)-pyrrolidin-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-(3,3,3-trifluoropropyl)indol-3-yl]methyl]pyridine-4-carboxylic acid has a molecular weight of 1789.98 g/mol, XLogP of 15.96, 26 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-fluoro-1-[2-(4-methylmorpholin-2-yl)ethyl]indazol-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-methyl-1-propylindol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-[(3S)-pyrrolidin-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-(3,3,3-trifluoropropyl)indol-3-yl]methyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 161116090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).