5-[1-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-4-yl]-3-pyridin-4-yl-1H-indazole;4-[(2-fluoro-6-methoxyphenyl)methyl]-2-[1-(3-pyridin-4-yl-1H-indazol-5-yl)triazol-4-yl]morpholine;5-[1-[(3R)-1-[(2-methylphenyl)methyl]piperidin-3-yl]triazol-4-yl]-3-pyridin-4-yl-1H-indazole

C80H77F2N21O3 — CID 158968972

IUPAC5-[1-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-4-yl]-3-pyridin-4-yl-1H-indazole;4-[(2-fluoro-6-methoxyphenyl)methyl]-2-[1-(3-pyridin-4-yl-1H-indazol-5-yl)triazol-4-yl]morpholine;5-[1-[(3R)-1-[(2-methylphenyl)methyl]piperidin-3-yl]triazol-4-yl]-3-pyridin-4-yl-1H-indazole
SMILESCOc1cccc(F)c1CN1CCC[C@@H](n2cc(-c3ccc4[nH]nc(-c5ccncc5)c4c3)nn2)C1.COc1cccc(F)c1CN1CCOC(c2cn(-c3ccc4[nH]nc(-c5ccncc5)c4c3)nn2)C1.Cc1ccccc1CN1CCC[C@@H](n2cc(-c3ccc4[nH]nc(-c5ccncc5)c4c3)nn2)C1
InChIInChI=1S/C27H26FN7O.C27H27N7.C26H24FN7O2/c1-36-26-6-2-5-23(28)22(26)16-34-13-3-4-20(15-34)35-17-25(31-33-35)19-7-8-24-21(14-19)27(32-30-24)18-9-11-29-12-10-18;1-19-5-2-3-6-22(19)16-33-14-4-7-23(17-33)34-18-26(30-32-34)21-8-9-25-24(15-21)27(31-29-25)20-10-12-28-13-11-20;1-35-24-4-2-3-21(27)20(24)14-33-11-12-36-25(16-33)23-15-34(32-30-23)18-5-6-22-19(13-18)26(31-29-22)17-7-9-28-10-8-17/h2,5-12,14,17,20H,3-4,13,15-16H2,1H3,(H,30,32);2-3,5-6,8-13,15,18,23H,4,7,14,16-17H2,1H3,(H,29,31);2-10,13,15,25H,11-12,14,16H2,1H3,(H,29,31)/t20-;23-;/m11./s1
InChIKeyJNOGKUNLTSEMFO-IIFAYUDGSA-N
MW1418.64 g/mol
LogP13.82
Rot. Bonds17

About 5-[1-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-4-yl]-3-pyridin-4-yl-1H-indazole;4-[(2-fluoro-6-methoxyphenyl)methyl]-2-[1-(3-pyridin-4-yl-1H-indazol-5-yl)triazol-4-yl]morpholine;5-[1-[(3R)-1-[(2-methylphenyl)methyl]piperidin-3-yl]triazol-4-yl]-3-pyridin-4-yl-1H-indazole

5-[1-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-4-yl]-3-pyridin-4-yl-1H-indazole;4-[(2-fluoro-6-methoxyphenyl)methyl]-2-[1-(3-pyridin-4-yl-1H-indazol-5-yl)triazol-4-yl]morpholine;5-[1-[(3R)-1-[(2-methylphenyl)methyl]piperidin-3-yl]triazol-4-yl]-3-pyridin-4-yl-1H-indazole (PubChem CID 158968972) has the molecular formula C80H77F2N21O3 and a molecular weight of 1418.64 g/mol. Its IUPAC name is 5-[1-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-4-yl]-3-pyridin-4-yl-1H-indazole;4-[(2-fluoro-6-methoxyphenyl)methyl]-2-[1-(3-pyridin-4-yl-1H-indazol-5-yl)triazol-4-yl]morpholine;5-[1-[(3R)-1-[(2-methylphenyl)methyl]piperidin-3-yl]triazol-4-yl]-3-pyridin-4-yl-1H-indazole.

Molecular Properties

Compound Name5-[1-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-4-yl]-3-pyridin-4-yl-1H-indazole;4-[(2-fluoro-6-methoxyphenyl)methyl]-2-[1-(3-pyridin-4-yl-1H-indazol-5-yl)triazol-4-yl]morpholine;5-[1-[(3R)-1-[(2-methylphenyl)methyl]piperidin-3-yl]triazol-4-yl]-3-pyridin-4-yl-1H-indazole
PubChem CID158968972
Molecular FormulaC80H77F2N21O3
Molecular Weight1418.64 g/mol
Exact Mass1417.65
IUPAC Name5-[1-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-4-yl]-3-pyridin-4-yl-1H-indazole;4-[(2-fluoro-6-methoxyphenyl)methyl]-2-[1-(3-pyridin-4-yl-1H-indazol-5-yl)triazol-4-yl]morpholine;5-[1-[(3R)-1-[(2-methylphenyl)methyl]piperidin-3-yl]triazol-4-yl]-3-pyridin-4-yl-1H-indazole
SMILESCOc1cccc(F)c1CN1CCC[C@@H](n2cc(-c3ccc4[nH]nc(-c5ccncc5)c4c3)nn2)C1.COc1cccc(F)c1CN1CCOC(c2cn(-c3ccc4[nH]nc(-c5ccncc5)c4c3)nn2)C1.Cc1ccccc1CN1CCC[C@@H](n2cc(-c3ccc4[nH]nc(-c5ccncc5)c4c3)nn2)C1
InChIInChI=1S/C27H26FN7O.C27H27N7.C26H24FN7O2/c1-36-26-6-2-5-23(28)22(26)16-34-13-3-4-20(15-34)35-17-25(31-33-35)19-7-8-24-21(14-19)27(32-30-24)18-9-11-29-12-10-18;1-19-5-2-3-6-22(19)16-33-14-4-7-23(17-33)34-18-26(30-32-34)21-8-9-25-24(15-21)27(31-29-25)20-10-12-28-13-11-20;1-35-24-4-2-3-21(27)20(24)14-33-11-12-36-25(16-33)23-15-34(32-30-23)18-5-6-22-19(13-18)26(31-29-22)17-7-9-28-10-8-17/h2,5-12,14,17,20H,3-4,13,15-16H2,1H3,(H,30,32);2-3,5-6,8-13,15,18,23H,4,7,14,16-17H2,1H3,(H,29,31);2-10,13,15,25H,11-12,14,16H2,1H3,(H,29,31)/t20-;23-;/m11./s1
InChIKeyJNOGKUNLTSEMFO-IIFAYUDGSA-N
XLogP13.82
TPSA254.25 Ų
H-Bond Donors3
H-Bond Acceptors21
Rotatable Bonds17
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001418.64
LogP ≤ 513.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1021

Analyze 5-[1-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-4-yl]-3-pyridin-4-yl-1H-indazole;4-[(2-fluoro-6-methoxyphenyl)methyl]-2-[1-(3-pyridin-4-yl-1H-indazol-5-yl)triazol-4-yl]morpholine;5-[1-[(3R)-1-[(2-methylphenyl)methyl]piperidin-3-yl]triazol-4-yl]-3-pyridin-4-yl-1H-indazole 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

5-[4-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-(2-methylindazol-5-yl)-1H-indazole
CID 56969209
5-[4-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-(3-methyl-2H-indazol-5-yl)-1H-indazole
CID 89790492
4-[(2-fluoro-6-methoxyphenyl)methyl]-2-[1-(3-pyridin-4-yl-1H-indazol-5-yl)triazol-4-yl]morpholine
CID 89790853
N-[3-[2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine
CID 137038136
N-[3-fluoro-5-[2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazol-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine
CID 137038394
N-[5-[1-[4-[3-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-1H-indol-4-yl]-5-fluorophenoxy]butyl-methylamino]-3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-indol-2-yl]indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 137088519
N-[[5-[1-[1-[2-[3-fluoro-5-[2-(5-pyrimidin-5-yl-1H-indazol-3-yl)-1H-indol-4-yl]phenoxy]ethyl]pyrrolidin-3-yl]-3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-indol-2-yl]indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
CID 137088523
3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-indol-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazole
CID 137088872
N-[5-[1-[[2-[3-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-6-methyl-1H-indazol-3-yl]-1H-indol-4-yl]-5-fluorophenoxy]ethyl-methylamino]methyl]-3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-indol-2-yl]pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 137103195
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridine
CID 137113105
3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-indol-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
CID 137113136
1-[3-fluoro-5-[2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine
CID 137113219

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-4-yl]-3-pyridin-4-yl-1H-indazole;4-[(2-fluoro-6-methoxyphenyl)methyl]-2-[1-(3-pyridin-4-yl-1H-indazol-5-yl)triazol-4-yl]morpholine;5-[1-[(3R)-1-[(2-methylphenyl)methyl]piperidin-3-yl]triazol-4-yl]-3-pyridin-4-yl-1H-indazole?
The IUPAC name of 5-[1-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-4-yl]-3-pyridin-4-yl-1H-indazole;4-[(2-fluoro-6-methoxyphenyl)methyl]-2-[1-(3-pyridin-4-yl-1H-indazol-5-yl)triazol-4-yl]morpholine;5-[1-[(3R)-1-[(2-methylphenyl)methyl]piperidin-3-yl]triazol-4-yl]-3-pyridin-4-yl-1H-indazole (CID 158968972) is 5-[1-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-4-yl]-3-pyridin-4-yl-1H-indazole;4-[(2-fluoro-6-methoxyphenyl)methyl]-2-[1-(3-pyridin-4-yl-1H-indazol-5-yl)triazol-4-yl]morpholine;5-[1-[(3R)-1-[(2-methylphenyl)methyl]piperidin-3-yl]triazol-4-yl]-3-pyridin-4-yl-1H-indazole.
What is the SMILES notation for 5-[1-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-4-yl]-3-pyridin-4-yl-1H-indazole;4-[(2-fluoro-6-methoxyphenyl)methyl]-2-[1-(3-pyridin-4-yl-1H-indazol-5-yl)triazol-4-yl]morpholine;5-[1-[(3R)-1-[(2-methylphenyl)methyl]piperidin-3-yl]triazol-4-yl]-3-pyridin-4-yl-1H-indazole?
The canonical SMILES for 5-[1-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-4-yl]-3-pyridin-4-yl-1H-indazole;4-[(2-fluoro-6-methoxyphenyl)methyl]-2-[1-(3-pyridin-4-yl-1H-indazol-5-yl)triazol-4-yl]morpholine;5-[1-[(3R)-1-[(2-methylphenyl)methyl]piperidin-3-yl]triazol-4-yl]-3-pyridin-4-yl-1H-indazole is COc1cccc(F)c1CN1CCC[C@@H](n2cc(-c3ccc4[nH]nc(-c5ccncc5)c4c3)nn2)C1.COc1cccc(F)c1CN1CCOC(c2cn(-c3ccc4[nH]nc(-c5ccncc5)c4c3)nn2)C1.Cc1ccccc1CN1CCC[C@@H](n2cc(-c3ccc4[nH]nc(-c5ccncc5)c4c3)nn2)C1.
What is the InChIKey of 5-[1-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-4-yl]-3-pyridin-4-yl-1H-indazole;4-[(2-fluoro-6-methoxyphenyl)methyl]-2-[1-(3-pyridin-4-yl-1H-indazol-5-yl)triazol-4-yl]morpholine;5-[1-[(3R)-1-[(2-methylphenyl)methyl]piperidin-3-yl]triazol-4-yl]-3-pyridin-4-yl-1H-indazole?
The InChIKey is JNOGKUNLTSEMFO-IIFAYUDGSA-N. The full InChI is InChI=1S/C27H26FN7O.C27H27N7.C26H24FN7O2/c1-36-26-6-2-5-23(28)22(26)16-34-13-3-4-20(15-34)35-17-25(31-33-35)19-7-8-24-21(14-19)27(32-30-24)18-9-11-29-12-10-18;1-19-5-2-3-6-22(19)16-33-14-4-7-23(17-33)34-18-26(30-32-34)21-8-9-25-24(15-21)27(31-29-25)20-10-12-28-13-11-20;1-35-24-4-2-3-21(27)20(24)14-33-11-12-36-25(16-33)23-15-34(32-30-23)18-5-6-22-19(13-18)26(31-29-22)17-7-9-28-10-8-17/h2,5-12,14,17,20H,3-4,13,15-16H2,1H3,(H,30,32);2-3,5-6,8-13,15,18,23H,4,7,14,16-17H2,1H3,(H,29,31);2-10,13,15,25H,11-12,14,16H2,1H3,(H,29,31)/t20-;23-;/m11./s1.
What are the key properties of 5-[1-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-4-yl]-3-pyridin-4-yl-1H-indazole;4-[(2-fluoro-6-methoxyphenyl)methyl]-2-[1-(3-pyridin-4-yl-1H-indazol-5-yl)triazol-4-yl]morpholine;5-[1-[(3R)-1-[(2-methylphenyl)methyl]piperidin-3-yl]triazol-4-yl]-3-pyridin-4-yl-1H-indazole?
5-[1-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-4-yl]-3-pyridin-4-yl-1H-indazole;4-[(2-fluoro-6-methoxyphenyl)methyl]-2-[1-(3-pyridin-4-yl-1H-indazol-5-yl)triazol-4-yl]morpholine;5-[1-[(3R)-1-[(2-methylphenyl)methyl]piperidin-3-yl]triazol-4-yl]-3-pyridin-4-yl-1H-indazole has a molecular weight of 1418.64 g/mol, XLogP of 13.82, 17 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-4-yl]-3-pyridin-4-yl-1H-indazole;4-[(2-fluoro-6-methoxyphenyl)methyl]-2-[1-(3-pyridin-4-yl-1H-indazol-5-yl)triazol-4-yl]morpholine;5-[1-[(3R)-1-[(2-methylphenyl)methyl]piperidin-3-yl]triazol-4-yl]-3-pyridin-4-yl-1H-indazole is sourced from PubChem (CID 158968972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).