5-[1-[1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]pyrazol-4-yl]-3-pyridin-4-yl-1H-indazole;bis(5-[1-[1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]pyrazol-4-yl]-3-pyridin-4-yl-1H-indazole);5-[1-[1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]pyrazol-4-yl]-3-pyridin-4-yl-1H-indazole

C113H107F3N24O2S — CID 158505921

IUPAC5-[1-[1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]pyrazol-4-yl]-3-pyridin-4-yl-1H-indazole;bis(5-[1-[1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]pyrazol-4-yl]-3-pyridin-4-yl-1H-indazole);5-[1-[1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]pyrazol-4-yl]-3-pyridin-4-yl-1H-indazole
SMILESCOc1cccc(F)c1CN1CCCC(n2cc(-c3ccc4[nH]nc(-c5ccncc5)c4c3)cn2)C1.COc1cccc(F)c1CN1CCCC(n2cc(-c3ccc4[nH]nc(-c5ccncc5)c4c3)cn2)C1.Cc1cccc(F)c1CN1CCCC(n2cc(-c3ccc4[nH]nc(-c5ccncc5)c4c3)cn2)C1.c1ccc2c(CN3CCCC(n4cc(-c5ccc6[nH]nc(-c7ccncc7)c6c5)cn4)C3)csc2c1
InChIInChI=1S/C29H26N6S.2C28H27FN6O.C28H27FN6/c1-2-6-28-25(5-1)23(19-36-28)16-34-13-3-4-24(18-34)35-17-22(15-31-35)21-7-8-27-26(14-21)29(33-32-27)20-9-11-30-12-10-20;2*1-36-27-6-2-5-25(29)24(27)18-34-13-3-4-22(17-34)35-16-21(15-31-35)20-7-8-26-23(14-20)28(33-32-26)19-9-11-30-12-10-19;1-19-4-2-6-26(29)25(19)18-34-13-3-5-23(17-34)35-16-22(15-31-35)21-7-8-27-24(14-21)28(33-32-27)20-9-11-30-12-10-20/h1-2,5-12,14-15,17,19,24H,3-4,13,16,18H2,(H,32,33);2*2,5-12,14-16,22H,3-4,13,17-18H2,1H3,(H,32,33);2,4,6-12,14-16,23H,3,5,13,17-18H2,1H3,(H,32,33)
InChIKeyHKLRWKMZPGQRBA-UHFFFAOYSA-N
MW1922.33 g/mol
LogP23.26
Rot. Bonds22

About 5-[1-[1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]pyrazol-4-yl]-3-pyridin-4-yl-1H-indazole;bis(5-[1-[1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]pyrazol-4-yl]-3-pyridin-4-yl-1H-indazole);5-[1-[1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]pyrazol-4-yl]-3-pyridin-4-yl-1H-indazole

5-[1-[1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]pyrazol-4-yl]-3-pyridin-4-yl-1H-indazole;bis(5-[1-[1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]pyrazol-4-yl]-3-pyridin-4-yl-1H-indazole);5-[1-[1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]pyrazol-4-yl]-3-pyridin-4-yl-1H-indazole (PubChem CID 158505921) has the molecular formula C113H107F3N24O2S and a molecular weight of 1922.33 g/mol. Its IUPAC name is 5-[1-[1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]pyrazol-4-yl]-3-pyridin-4-yl-1H-indazole;bis(5-[1-[1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]pyrazol-4-yl]-3-pyridin-4-yl-1H-indazole);5-[1-[1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]pyrazol-4-yl]-3-pyridin-4-yl-1H-indazole.

Molecular Properties

Compound Name5-[1-[1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]pyrazol-4-yl]-3-pyridin-4-yl-1H-indazole;bis(5-[1-[1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]pyrazol-4-yl]-3-pyridin-4-yl-1H-indazole);5-[1-[1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]pyrazol-4-yl]-3-pyridin-4-yl-1H-indazole
PubChem CID158505921
Molecular FormulaC113H107F3N24O2S
Molecular Weight1922.33 g/mol
Exact Mass1920.87
IUPAC Name5-[1-[1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]pyrazol-4-yl]-3-pyridin-4-yl-1H-indazole;bis(5-[1-[1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]pyrazol-4-yl]-3-pyridin-4-yl-1H-indazole);5-[1-[1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]pyrazol-4-yl]-3-pyridin-4-yl-1H-indazole
SMILESCOc1cccc(F)c1CN1CCCC(n2cc(-c3ccc4[nH]nc(-c5ccncc5)c4c3)cn2)C1.COc1cccc(F)c1CN1CCCC(n2cc(-c3ccc4[nH]nc(-c5ccncc5)c4c3)cn2)C1.Cc1cccc(F)c1CN1CCCC(n2cc(-c3ccc4[nH]nc(-c5ccncc5)c4c3)cn2)C1.c1ccc2c(CN3CCCC(n4cc(-c5ccc6[nH]nc(-c7ccncc7)c6c5)cn4)C3)csc2c1
InChIInChI=1S/C29H26N6S.2C28H27FN6O.C28H27FN6/c1-2-6-28-25(5-1)23(19-36-28)16-34-13-3-4-24(18-34)35-17-22(15-31-35)21-7-8-27-26(14-21)29(33-32-27)20-9-11-30-12-10-20;2*1-36-27-6-2-5-25(29)24(27)18-34-13-3-4-22(17-34)35-16-21(15-31-35)20-7-8-26-23(14-20)28(33-32-26)19-9-11-30-12-10-19;1-19-4-2-6-26(29)25(19)18-34-13-3-5-23(17-34)35-16-22(15-31-35)21-7-8-27-24(14-21)28(33-32-27)20-9-11-30-12-10-20/h1-2,5-12,14-15,17,19,24H,3-4,13,16,18H2,(H,32,33);2*2,5-12,14-16,22H,3-4,13,17-18H2,1H3,(H,32,33);2,4,6-12,14-16,23H,3,5,13,17-18H2,1H3,(H,32,33)
InChIKeyHKLRWKMZPGQRBA-UHFFFAOYSA-N
XLogP23.26
TPSA268.98 Ų
H-Bond Donors4
H-Bond Acceptors23
Rotatable Bonds22
Heavy Atoms143
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001922.33
LogP ≤ 523.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1023

Analyze 5-[1-[1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]pyrazol-4-yl]-3-pyridin-4-yl-1H-indazole;bis(5-[1-[1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]pyrazol-4-yl]-3-pyridin-4-yl-1H-indazole);5-[1-[1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]pyrazol-4-yl]-3-pyridin-4-yl-1H-indazole with MolForge

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Related Compounds

1-(1-benzothiophen-5-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-[2-[(dimethylamino)methyl]phenyl]-4-(1H-indazol-5-yl)butane-1,4-dione;1-(2-ethylphenyl)-4-(1H-indazol-5-yl)butane-1,4-dione;1-(3-fluoro-2-pyridinyl)-4-(1H-indazol-5-yl)butane-1,4-dione;1-(1H-indazol-5-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(1H-indazol-5-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(1H-indazol-5-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione
CID 157307724
N-[(3R,6S)-6-(diethylcarbamoyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(2-methylindazol-5-yl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(diethylcarbamoyl)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(3,3-difluoroazetidine-1-carbonyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(2-methylindazol-5-yl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(dimethylcarbamoyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(2-methylindazol-5-yl)-1H-indazole-5-carboxamide
CID 160482393
3-fluoro-4-[7-methoxy-3-methyl-8-(2-methylpyrazol-3-yl)-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile;3-fluoro-4-[7-methoxy-3-methyl-8-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile;3-fluoro-4-[7-methoxy-3-methyl-2-oxo-8-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-1-yl]benzonitrile;3-fluoro-4-[7-methoxy-3-methyl-2-oxo-8-[(E)-2-thiophen-3-ylethenyl]imidazo[4,5-c]quinolin-1-yl]benzonitrile
CID 161684505
2-[(3S)-1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]-1-[3-(6-phenyl-3-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-[3-(1-methylindazol-5-yl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-[3-(2-methylindazol-5-yl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[4-fluoro-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone
CID 157321250
5-[4-[(3R)-1-[(2-chloro-6-fluorophenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole;5-[4-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-(2-methylindazol-5-yl)-1H-indazole;6-[5-[4-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-1-yl]-1H-indazol-3-yl]-2-methyl-1,3-benzothiazole;5-[4-[(3R)-1-[(4-methoxy-2-methylphenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-pyridin-4-yl-1H-indazole
CID 157635419
9-Ethyl-3-[5-(3-methoxyphenyl)pyrazol-1-yl]carbazole;9-ethyl-3-[5-(3-methylphenyl)pyrazol-1-yl]carbazole;9-ethyl-3-(5-phenylpyrazol-1-yl)carbazole;9-ethyl-3-(5-pyridin-2-ylpyrazol-1-yl)carbazole;9-ethyl-3-(5-pyridin-3-ylpyrazol-1-yl)carbazole;9-ethyl-3-(5-thiophen-3-ylpyrazol-1-yl)carbazole
CID 157684440
5-[1-[1-[[2-fluoro-6-(3-methoxypropoxy)phenyl]methyl]piperidin-3-yl]pyrazol-4-yl]-3-phenyl-1H-indazole;5-[1-[1-[(2-fluoro-6-propan-2-yloxyphenyl)methyl]piperidin-3-yl]pyrazol-4-yl]-3-pyridin-4-yl-1H-indazole;5-[1-[(3R)-1-[(4-methoxy-2-methylphenyl)methyl]piperidin-3-yl]pyrazol-4-yl]-3-pyridin-4-yl-1H-indazole
CID 157862990
5-[1-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-4-yl]-3-pyridin-4-yl-1H-indazole;5-[1-[(3R)-1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]triazol-4-yl]-3-pyridin-4-yl-1H-indazole;5-[1-[(3R)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]triazol-4-yl]-3-pyridin-4-yl-1H-indazole;5-[1-[(3R)-1-(naphthalen-2-ylmethyl)piperidin-3-yl]triazol-4-yl]-3-pyridin-4-yl-1H-indazole
CID 157893706
5-[1-[1-[[2-fluoro-6-(2-methoxyethoxy)phenyl]methyl]piperidin-3-yl]pyrazol-4-yl]-3-phenyl-1H-indazole;5-[1-[(3R)-1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]pyrazol-4-yl]-3-pyridin-4-yl-1H-indazole
CID 158598831
5-fluoro-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;[7-(2-methyl-1,3-benzothiazol-6-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl] formate;1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;7-(5-methyl-2H-pyrrol-4-yl)-9-pyridin-2-yl-3H-pyrazolo[4,5-f]quinoline
CID 158939510
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
9-ethyl-3-[5-(3-methoxyphenyl)pyrazol-1-yl]carbazole;9-ethyl-3-[5-(3-methylphenyl)pyrazol-1-yl]carbazole;9-ethyl-3-(5-pyridin-3-ylpyrazol-1-yl)carbazole;9-ethyl-3-(5-thiophen-3-ylpyrazol-1-yl)carbazole;3-(5-phenylpyrazol-1-yl)-9H-carbazole
CID 159434537

Frequently Asked Questions

What is the IUPAC name of 5-[1-[1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]pyrazol-4-yl]-3-pyridin-4-yl-1H-indazole;bis(5-[1-[1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]pyrazol-4-yl]-3-pyridin-4-yl-1H-indazole);5-[1-[1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]pyrazol-4-yl]-3-pyridin-4-yl-1H-indazole?
The IUPAC name of 5-[1-[1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]pyrazol-4-yl]-3-pyridin-4-yl-1H-indazole;bis(5-[1-[1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]pyrazol-4-yl]-3-pyridin-4-yl-1H-indazole);5-[1-[1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]pyrazol-4-yl]-3-pyridin-4-yl-1H-indazole (CID 158505921) is 5-[1-[1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]pyrazol-4-yl]-3-pyridin-4-yl-1H-indazole;bis(5-[1-[1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]pyrazol-4-yl]-3-pyridin-4-yl-1H-indazole);5-[1-[1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]pyrazol-4-yl]-3-pyridin-4-yl-1H-indazole.
What is the SMILES notation for 5-[1-[1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]pyrazol-4-yl]-3-pyridin-4-yl-1H-indazole;bis(5-[1-[1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]pyrazol-4-yl]-3-pyridin-4-yl-1H-indazole);5-[1-[1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]pyrazol-4-yl]-3-pyridin-4-yl-1H-indazole?
The canonical SMILES for 5-[1-[1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]pyrazol-4-yl]-3-pyridin-4-yl-1H-indazole;bis(5-[1-[1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]pyrazol-4-yl]-3-pyridin-4-yl-1H-indazole);5-[1-[1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]pyrazol-4-yl]-3-pyridin-4-yl-1H-indazole is COc1cccc(F)c1CN1CCCC(n2cc(-c3ccc4[nH]nc(-c5ccncc5)c4c3)cn2)C1.COc1cccc(F)c1CN1CCCC(n2cc(-c3ccc4[nH]nc(-c5ccncc5)c4c3)cn2)C1.Cc1cccc(F)c1CN1CCCC(n2cc(-c3ccc4[nH]nc(-c5ccncc5)c4c3)cn2)C1.c1ccc2c(CN3CCCC(n4cc(-c5ccc6[nH]nc(-c7ccncc7)c6c5)cn4)C3)csc2c1.
What is the InChIKey of 5-[1-[1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]pyrazol-4-yl]-3-pyridin-4-yl-1H-indazole;bis(5-[1-[1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]pyrazol-4-yl]-3-pyridin-4-yl-1H-indazole);5-[1-[1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]pyrazol-4-yl]-3-pyridin-4-yl-1H-indazole?
The InChIKey is HKLRWKMZPGQRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N6S.2C28H27FN6O.C28H27FN6/c1-2-6-28-25(5-1)23(19-36-28)16-34-13-3-4-24(18-34)35-17-22(15-31-35)21-7-8-27-26(14-21)29(33-32-27)20-9-11-30-12-10-20;2*1-36-27-6-2-5-25(29)24(27)18-34-13-3-4-22(17-34)35-16-21(15-31-35)20-7-8-26-23(14-20)28(33-32-26)19-9-11-30-12-10-19;1-19-4-2-6-26(29)25(19)18-34-13-3-5-23(17-34)35-16-22(15-31-35)21-7-8-27-24(14-21)28(33-32-27)20-9-11-30-12-10-20/h1-2,5-12,14-15,17,19,24H,3-4,13,16,18H2,(H,32,33);2*2,5-12,14-16,22H,3-4,13,17-18H2,1H3,(H,32,33);2,4,6-12,14-16,23H,3,5,13,17-18H2,1H3,(H,32,33).
What are the key properties of 5-[1-[1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]pyrazol-4-yl]-3-pyridin-4-yl-1H-indazole;bis(5-[1-[1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]pyrazol-4-yl]-3-pyridin-4-yl-1H-indazole);5-[1-[1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]pyrazol-4-yl]-3-pyridin-4-yl-1H-indazole?
5-[1-[1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]pyrazol-4-yl]-3-pyridin-4-yl-1H-indazole;bis(5-[1-[1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]pyrazol-4-yl]-3-pyridin-4-yl-1H-indazole);5-[1-[1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]pyrazol-4-yl]-3-pyridin-4-yl-1H-indazole has a molecular weight of 1922.33 g/mol, XLogP of 23.26, 22 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]pyrazol-4-yl]-3-pyridin-4-yl-1H-indazole;bis(5-[1-[1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]pyrazol-4-yl]-3-pyridin-4-yl-1H-indazole);5-[1-[1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]pyrazol-4-yl]-3-pyridin-4-yl-1H-indazole is sourced from PubChem (CID 158505921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).