(3S,4S)-4-methoxy-1-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]pyrrolidin-3-ol;(2R)-2-methyl-4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine;3-methyl-1-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]pyrrolidin-3-ol;6-(1-methylpyrazol-4-yl)-1-[2-(4-pyrimidin-4-ylpiperazin-1-yl)-4-pyridinyl]indazole

C87H89N27O4 — CID 158275764

IUPAC(3S,4S)-4-methoxy-1-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]pyrrolidin-3-ol;(2R)-2-methyl-4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine;3-methyl-1-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]pyrrolidin-3-ol;6-(1-methylpyrazol-4-yl)-1-[2-(4-pyrimidin-4-ylpiperazin-1-yl)-4-pyridinyl]indazole
SMILESCO[C@H]1CN(c2cc(-n3ncc4ccc(-c5cnn(C)c5)cc43)ccn2)C[C@@H]1O.C[C@@H]1CN(c2cc(-n3ncc4ccc(-c5cnn(C)c5)cc43)ccn2)CCO1.Cn1cc(-c2ccc3cnn(-c4ccnc(N5CCC(C)(O)C5)c4)c3c2)cn1.Cn1cc(-c2ccc3cnn(-c4ccnc(N5CCN(c6ccncn6)CC5)c4)c3c2)cn1
InChIInChI=1S/C24H23N9.C21H22N6O2.2C21H22N6O/c1-30-16-20(15-28-30)18-2-3-19-14-29-33(22(19)12-18)21-4-7-26-24(13-21)32-10-8-31(9-11-32)23-5-6-25-17-27-23;1-25-11-16(10-23-25)14-3-4-15-9-24-27(18(15)7-14)17-5-6-22-21(8-17)26-12-19(28)20(13-26)29-2;1-21(28)6-8-26(14-21)20-10-18(5-7-22-20)27-19-9-15(3-4-16(19)11-24-27)17-12-23-25(2)13-17;1-15-13-26(7-8-28-15)21-10-19(5-6-22-21)27-20-9-16(3-4-17(20)11-24-27)18-12-23-25(2)14-18/h2-7,12-17H,8-11H2,1H3;3-11,19-20,28H,12-13H2,1-2H3;3-5,7,9-13,28H,6,8,14H2,1-2H3;3-6,9-12,14-15H,7-8,13H2,1-2H3/t;19-,20-;;15-/m.0.1/s1
InChIKeyGJOWCMJJIRAZKM-GSFLNEMOSA-N
MW1576.85 g/mol
LogP10.78
Rot. Bonds14

About (3S,4S)-4-methoxy-1-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]pyrrolidin-3-ol;(2R)-2-methyl-4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine;3-methyl-1-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]pyrrolidin-3-ol;6-(1-methylpyrazol-4-yl)-1-[2-(4-pyrimidin-4-ylpiperazin-1-yl)-4-pyridinyl]indazole

(3S,4S)-4-methoxy-1-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]pyrrolidin-3-ol;(2R)-2-methyl-4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine;3-methyl-1-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]pyrrolidin-3-ol;6-(1-methylpyrazol-4-yl)-1-[2-(4-pyrimidin-4-ylpiperazin-1-yl)-4-pyridinyl]indazole (PubChem CID 158275764) has the molecular formula C87H89N27O4 and a molecular weight of 1576.85 g/mol. Its IUPAC name is (3S,4S)-4-methoxy-1-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]pyrrolidin-3-ol;(2R)-2-methyl-4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine;3-methyl-1-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]pyrrolidin-3-ol;6-(1-methylpyrazol-4-yl)-1-[2-(4-pyrimidin-4-ylpiperazin-1-yl)-4-pyridinyl]indazole.

Molecular Properties

Compound Name(3S,4S)-4-methoxy-1-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]pyrrolidin-3-ol;(2R)-2-methyl-4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine;3-methyl-1-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]pyrrolidin-3-ol;6-(1-methylpyrazol-4-yl)-1-[2-(4-pyrimidin-4-ylpiperazin-1-yl)-4-pyridinyl]indazole
PubChem CID158275764
Molecular FormulaC87H89N27O4
Molecular Weight1576.85 g/mol
Exact Mass1575.76
IUPAC Name(3S,4S)-4-methoxy-1-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]pyrrolidin-3-ol;(2R)-2-methyl-4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine;3-methyl-1-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]pyrrolidin-3-ol;6-(1-methylpyrazol-4-yl)-1-[2-(4-pyrimidin-4-ylpiperazin-1-yl)-4-pyridinyl]indazole
SMILESCO[C@H]1CN(c2cc(-n3ncc4ccc(-c5cnn(C)c5)cc43)ccn2)C[C@@H]1O.C[C@@H]1CN(c2cc(-n3ncc4ccc(-c5cnn(C)c5)cc43)ccn2)CCO1.Cn1cc(-c2ccc3cnn(-c4ccnc(N5CCC(C)(O)C5)c4)c3c2)cn1.Cn1cc(-c2ccc3cnn(-c4ccnc(N5CCN(c6ccncn6)CC5)c4)c3c2)cn1
InChIInChI=1S/C24H23N9.C21H22N6O2.2C21H22N6O/c1-30-16-20(15-28-30)18-2-3-19-14-29-33(22(19)12-18)21-4-7-26-24(13-21)32-10-8-31(9-11-32)23-5-6-25-17-27-23;1-25-11-16(10-23-25)14-3-4-15-9-24-27(18(15)7-14)17-5-6-22-21(8-17)26-12-19(28)20(13-26)29-2;1-21(28)6-8-26(14-21)20-10-18(5-7-22-20)27-19-9-15(3-4-16(19)11-24-27)17-12-23-25(2)13-17;1-15-13-26(7-8-28-15)21-10-19(5-6-22-21)27-20-9-16(3-4-17(20)11-24-27)18-12-23-25(2)14-18/h2-7,12-17H,8-11H2,1H3;3-11,19-20,28H,12-13H2,1-2H3;3-5,7,9-13,28H,6,8,14H2,1-2H3;3-6,9-12,14-15H,7-8,13H2,1-2H3/t;19-,20-;;15-/m.0.1/s1
InChIKeyGJOWCMJJIRAZKM-GSFLNEMOSA-N
XLogP10.78
TPSA295.02 Ų
H-Bond Donors2
H-Bond Acceptors31
Rotatable Bonds14
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001576.85
LogP ≤ 510.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1031

Analyze (3S,4S)-4-methoxy-1-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]pyrrolidin-3-ol;(2R)-2-methyl-4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine;3-methyl-1-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]pyrrolidin-3-ol;6-(1-methylpyrazol-4-yl)-1-[2-(4-pyrimidin-4-ylpiperazin-1-yl)-4-pyridinyl]indazole with MolForge

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Launch Full Analysis

Related Compounds

US10954240, Example 48
CID 118930276
1-[4-[[8-[4-[[4-Fluoro-3-[2-[[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]amino]-8-[4-(morpholin-4-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]-2-methylpropan-2-ol
CID 90877281
1-[2-(3,3-Difluoroazetidin-1-yl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)indazole;4-[4-[4-fluoro-6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine;4-(4-indazol-1-yl-2-pyridinyl)morpholine;1-methyl-4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]piperazin-2-one;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)indazole;4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine
CID 159708276
3-[6-(3,3-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-(1-methylpyrazol-4-yl)-1H-isoindole;6-[6-[5-fluoro-6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]pyrimidin-4-yl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazine;3-[6-[(3R)-3-(fluoromethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-5-(1-methylpyrazol-4-yl)-1H-isoindole;3-[6-[(3R)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]-5-(1-methylpyrazol-4-yl)-1H-isoindole;7-[6-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]pyrimidin-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;[(3S)-1-[6-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]pyrimidin-4-yl]pyrrolidin-3-yl]methanol
CID 160010204
3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-(1-methylpyrazol-4-yl)-1H-isoindole;2,2-dimethyl-4-[6-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine;(3S)-N,N-dimethyl-1-[6-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]pyrimidin-4-yl]pyrrolidin-3-amine;(3S,4S)-4-methoxy-1-[6-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol;4-[6-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]pyrimidin-4-yl]-1,4-thiazinane 1,1-dioxide;5-(1-methylpyrazol-4-yl)-3-[6-(3-pyrazol-1-ylpyrrolidin-1-yl)pyrimidin-4-yl]-1H-isoindole
CID 161499133
(3R)-4-[6-[1-(3,3-difluoropiperidin-4-yl)-3,5-dimethylpyrazol-4-yl]-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-[(3-methyloxetan-3-yl)methyl]pyrazol-4-yl]-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrazol-4-yl]-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrazol-4-yl]-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine
CID 167618491
[4-[3-[4-Amino-5-(2-benzylindazol-6-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]propyl]morpholin-2-yl]methanol
CID 58529435
[5-[2-[2-[1-[2-Methoxy-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]-6-[1-(oxolan-3-yl)piperidin-4-yl]indazol-5-yl]ethoxy]-6-[5-methyl-6-(oxan-4-yl)indazol-1-yl]pyrimidin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptan-1-yl]methanol
CID 135273497
4-[4-[5-[2-[4-[3-(1-Hydroxyethyl)azetidin-1-yl]-6-[5-methyl-6-[1-(oxolan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-2-yl]ethyl]-1-[6-[2-(hydroxymethyl)morpholin-4-yl]-2-methylpyrimidin-4-yl]indazol-6-yl]piperidin-1-yl]oxolan-3-ol
CID 135276543
(2S,6R)-2,6-dimethyl-4-[4-[5-(1-methylpyrazol-4-yl)-7-[1-[4-[5-(1-methylpyrazol-4-yl)-7-[1-[4-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-pyridinyl]piperidin-3-yl]-2H-indazol-3-yl]-2-pyridinyl]pyrrolidin-3-yl]-2H-indazol-3-yl]-2-pyridinyl]morpholine
CID 144697738
Ethane;methanol;4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine;1-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]pyrrolidin-3-ol
CID 145028096
2-[3-[1-[2-(4-hydroxypiperidin-1-yl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)indazol-3-yl]-4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 156180930

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-methoxy-1-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]pyrrolidin-3-ol;(2R)-2-methyl-4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine;3-methyl-1-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]pyrrolidin-3-ol;6-(1-methylpyrazol-4-yl)-1-[2-(4-pyrimidin-4-ylpiperazin-1-yl)-4-pyridinyl]indazole?
The IUPAC name of (3S,4S)-4-methoxy-1-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]pyrrolidin-3-ol;(2R)-2-methyl-4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine;3-methyl-1-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]pyrrolidin-3-ol;6-(1-methylpyrazol-4-yl)-1-[2-(4-pyrimidin-4-ylpiperazin-1-yl)-4-pyridinyl]indazole (CID 158275764) is (3S,4S)-4-methoxy-1-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]pyrrolidin-3-ol;(2R)-2-methyl-4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine;3-methyl-1-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]pyrrolidin-3-ol;6-(1-methylpyrazol-4-yl)-1-[2-(4-pyrimidin-4-ylpiperazin-1-yl)-4-pyridinyl]indazole.
What is the SMILES notation for (3S,4S)-4-methoxy-1-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]pyrrolidin-3-ol;(2R)-2-methyl-4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine;3-methyl-1-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]pyrrolidin-3-ol;6-(1-methylpyrazol-4-yl)-1-[2-(4-pyrimidin-4-ylpiperazin-1-yl)-4-pyridinyl]indazole?
The canonical SMILES for (3S,4S)-4-methoxy-1-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]pyrrolidin-3-ol;(2R)-2-methyl-4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine;3-methyl-1-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]pyrrolidin-3-ol;6-(1-methylpyrazol-4-yl)-1-[2-(4-pyrimidin-4-ylpiperazin-1-yl)-4-pyridinyl]indazole is CO[C@H]1CN(c2cc(-n3ncc4ccc(-c5cnn(C)c5)cc43)ccn2)C[C@@H]1O.C[C@@H]1CN(c2cc(-n3ncc4ccc(-c5cnn(C)c5)cc43)ccn2)CCO1.Cn1cc(-c2ccc3cnn(-c4ccnc(N5CCC(C)(O)C5)c4)c3c2)cn1.Cn1cc(-c2ccc3cnn(-c4ccnc(N5CCN(c6ccncn6)CC5)c4)c3c2)cn1.
What is the InChIKey of (3S,4S)-4-methoxy-1-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]pyrrolidin-3-ol;(2R)-2-methyl-4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine;3-methyl-1-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]pyrrolidin-3-ol;6-(1-methylpyrazol-4-yl)-1-[2-(4-pyrimidin-4-ylpiperazin-1-yl)-4-pyridinyl]indazole?
The InChIKey is GJOWCMJJIRAZKM-GSFLNEMOSA-N. The full InChI is InChI=1S/C24H23N9.C21H22N6O2.2C21H22N6O/c1-30-16-20(15-28-30)18-2-3-19-14-29-33(22(19)12-18)21-4-7-26-24(13-21)32-10-8-31(9-11-32)23-5-6-25-17-27-23;1-25-11-16(10-23-25)14-3-4-15-9-24-27(18(15)7-14)17-5-6-22-21(8-17)26-12-19(28)20(13-26)29-2;1-21(28)6-8-26(14-21)20-10-18(5-7-22-20)27-19-9-15(3-4-16(19)11-24-27)17-12-23-25(2)13-17;1-15-13-26(7-8-28-15)21-10-19(5-6-22-21)27-20-9-16(3-4-17(20)11-24-27)18-12-23-25(2)14-18/h2-7,12-17H,8-11H2,1H3;3-11,19-20,28H,12-13H2,1-2H3;3-5,7,9-13,28H,6,8,14H2,1-2H3;3-6,9-12,14-15H,7-8,13H2,1-2H3/t;19-,20-;;15-/m.0.1/s1.
What are the key properties of (3S,4S)-4-methoxy-1-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]pyrrolidin-3-ol;(2R)-2-methyl-4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine;3-methyl-1-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]pyrrolidin-3-ol;6-(1-methylpyrazol-4-yl)-1-[2-(4-pyrimidin-4-ylpiperazin-1-yl)-4-pyridinyl]indazole?
(3S,4S)-4-methoxy-1-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]pyrrolidin-3-ol;(2R)-2-methyl-4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine;3-methyl-1-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]pyrrolidin-3-ol;6-(1-methylpyrazol-4-yl)-1-[2-(4-pyrimidin-4-ylpiperazin-1-yl)-4-pyridinyl]indazole has a molecular weight of 1576.85 g/mol, XLogP of 10.78, 14 rotatable bonds, 2 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-methoxy-1-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]pyrrolidin-3-ol;(2R)-2-methyl-4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine;3-methyl-1-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]pyrrolidin-3-ol;6-(1-methylpyrazol-4-yl)-1-[2-(4-pyrimidin-4-ylpiperazin-1-yl)-4-pyridinyl]indazole is sourced from PubChem (CID 158275764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).