(3-methoxyphenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(3-methylphenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(4-methylphenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;3-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile

C96H97N21O5 — CID 159746160

IUPAC(3-methoxyphenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(3-methylphenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(4-methylphenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;3-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile
SMILESCOc1cccc(C(=O)N2CC(Cn3ncc4cc(-c5cn[nH]c5)ccc43)C[C@@H]2C)c1.C[C@H]1CC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CN1C(=O)c1cccc(C#N)c1.Cc1ccc(C(=O)N2CC(Cn3ncc4cc(-c5cn[nH]c5)ccc43)C[C@@H]2C)cc1.Cc1cccc(C(=O)N2CC(Cn3ncc4cc(-c5cn[nH]c5)ccc43)C[C@@H]2C)c1
InChIInChI=1S/C24H22N6O.C24H25N5O2.2C24H25N5O/c1-16-7-18(14-29(16)24(31)20-4-2-3-17(8-20)10-25)15-30-23-6-5-19(9-21(23)13-28-30)22-11-26-27-12-22;1-16-8-17(14-28(16)24(30)19-4-3-5-22(10-19)31-2)15-29-23-7-6-18(9-20(23)13-27-29)21-11-25-26-12-21;1-16-3-5-19(6-4-16)24(30)28-14-18(9-17(28)2)15-29-23-8-7-20(10-21(23)13-27-29)22-11-25-26-12-22;1-16-4-3-5-20(8-16)24(30)28-14-18(9-17(28)2)15-29-23-7-6-19(10-21(23)13-27-29)22-11-25-26-12-22/h2-6,8-9,11-13,16,18H,7,14-15H2,1H3,(H,26,27);3-7,9-13,16-17H,8,14-15H2,1-2H3,(H,25,26);2*3-8,10-13,17-18H,9,14-15H2,1-2H3,(H,25,26)/t16-,18?;16-,17?;2*17-,18?/m0000/s1
InChIKeyNDBLRKPWYVEVNQ-DSLFQZMXSA-N
MW1624.97 g/mol
LogP16.41
Rot. Bonds17

About (3-methoxyphenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(3-methylphenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(4-methylphenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;3-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile

(3-methoxyphenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(3-methylphenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(4-methylphenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;3-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile (PubChem CID 159746160) has the molecular formula C96H97N21O5 and a molecular weight of 1624.97 g/mol. Its IUPAC name is (3-methoxyphenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(3-methylphenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(4-methylphenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;3-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile.

Molecular Properties

Compound Name(3-methoxyphenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(3-methylphenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(4-methylphenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;3-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile
PubChem CID159746160
Molecular FormulaC96H97N21O5
Molecular Weight1624.97 g/mol
Exact Mass1623.80
IUPAC Name(3-methoxyphenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(3-methylphenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(4-methylphenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;3-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile
SMILESCOc1cccc(C(=O)N2CC(Cn3ncc4cc(-c5cn[nH]c5)ccc43)C[C@@H]2C)c1.C[C@H]1CC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CN1C(=O)c1cccc(C#N)c1.Cc1ccc(C(=O)N2CC(Cn3ncc4cc(-c5cn[nH]c5)ccc43)C[C@@H]2C)cc1.Cc1cccc(C(=O)N2CC(Cn3ncc4cc(-c5cn[nH]c5)ccc43)C[C@@H]2C)c1
InChIInChI=1S/C24H22N6O.C24H25N5O2.2C24H25N5O/c1-16-7-18(14-29(16)24(31)20-4-2-3-17(8-20)10-25)15-30-23-6-5-19(9-21(23)13-28-30)22-11-26-27-12-22;1-16-8-17(14-28(16)24(30)19-4-3-5-22(10-19)31-2)15-29-23-7-6-18(9-20(23)13-27-29)21-11-25-26-12-21;1-16-3-5-19(6-4-16)24(30)28-14-18(9-17(28)2)15-29-23-8-7-20(10-21(23)13-27-29)22-11-25-26-12-22;1-16-4-3-5-20(8-16)24(30)28-14-18(9-17(28)2)15-29-23-7-6-19(10-21(23)13-27-29)22-11-25-26-12-22/h2-6,8-9,11-13,16,18H,7,14-15H2,1H3,(H,26,27);3-7,9-13,16-17H,8,14-15H2,1-2H3,(H,25,26);2*3-8,10-13,17-18H,9,14-15H2,1-2H3,(H,25,26)/t16-,18?;16-,17?;2*17-,18?/m0000/s1
InChIKeyNDBLRKPWYVEVNQ-DSLFQZMXSA-N
XLogP16.41
TPSA300.26 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds17
Heavy Atoms122
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001624.97
LogP ≤ 516.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Analyze (3-methoxyphenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(3-methylphenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(4-methylphenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;3-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile with MolForge

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Related Compounds

3-ethoxy-4-[4-fluoro-3-(prop-2-enoylamino)phenyl]-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;3-ethoxy-N-[(1R)-1-(1H-indazol-7-yl)ethyl]-N-methyl-4-phenylbenzamide;2-fluoro-4-[4-fluoro-3-(methylcarbamoyl)phenyl]-N-(1H-indazol-7-ylmethyl)-5-methoxy-N-methylbenzamide;N-(1H-indazol-7-ylmethyl)-3-methoxy-N-methyl-4-[3-(methylcarbamoyl)-5-(trifluoromethyl)phenyl]benzamide
CID 167547707
3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-(2H-pyrrol-3-yl)benzamide;3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methyl-4-(2H-pyrrol-3-yl)benzamide;3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide
CID 167639007
4-cyclopropyl-3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methylbenzamide;4-cyclopropyl-3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methylbenzamide;3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-pyrazol-1-ylbenzamide;3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methyl-4-pyrazol-1-ylbenzamide;3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide;3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide
CID 167649035
4-(3-cyano-5-fluorophenyl)-N-[(5-cyano-1H-indazol-7-yl)methyl]-3-methoxy-N-methylbenzamide;N-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide;3-cyclopropyloxy-N-[(4-fluoro-1H-indazol-7-yl)methyl]-4-(3-fluorophenyl)-N-methylbenzamide;3-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)-4-[3-(trifluoromethyl)phenyl]benzamide
CID 167703908
N-(2-cyanoethyl)-3-[2-[(3-methoxyphenyl)methyl]indazol-4-yl]-N-[3-[2-[(3-methoxyphenyl)methyl]indazol-4-yl]phenyl]benzamide
CID 67188445
(3-methoxyphenyl)-[(2R,4S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone
CID 118674459
[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]-(3-methoxyphenyl)methanone
CID 118674479
(3-methoxyphenyl)-[(2R,4R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone
CID 118674585
3-(3-methoxyphenyl)-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one
CID 118682187
(3-methoxyphenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone
CID 118682205
(3-methoxyphenyl)-[(2S,4R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone
CID 118682291
(3-methoxyphenyl)-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone
CID 118682373

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(3-methylphenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(4-methylphenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;3-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile?
The IUPAC name of (3-methoxyphenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(3-methylphenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(4-methylphenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;3-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile (CID 159746160) is (3-methoxyphenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(3-methylphenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(4-methylphenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;3-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile.
What is the SMILES notation for (3-methoxyphenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(3-methylphenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(4-methylphenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;3-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile?
The canonical SMILES for (3-methoxyphenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(3-methylphenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(4-methylphenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;3-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile is COc1cccc(C(=O)N2CC(Cn3ncc4cc(-c5cn[nH]c5)ccc43)C[C@@H]2C)c1.C[C@H]1CC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CN1C(=O)c1cccc(C#N)c1.Cc1ccc(C(=O)N2CC(Cn3ncc4cc(-c5cn[nH]c5)ccc43)C[C@@H]2C)cc1.Cc1cccc(C(=O)N2CC(Cn3ncc4cc(-c5cn[nH]c5)ccc43)C[C@@H]2C)c1.
What is the InChIKey of (3-methoxyphenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(3-methylphenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(4-methylphenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;3-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile?
The InChIKey is NDBLRKPWYVEVNQ-DSLFQZMXSA-N. The full InChI is InChI=1S/C24H22N6O.C24H25N5O2.2C24H25N5O/c1-16-7-18(14-29(16)24(31)20-4-2-3-17(8-20)10-25)15-30-23-6-5-19(9-21(23)13-28-30)22-11-26-27-12-22;1-16-8-17(14-28(16)24(30)19-4-3-5-22(10-19)31-2)15-29-23-7-6-18(9-20(23)13-27-29)21-11-25-26-12-21;1-16-3-5-19(6-4-16)24(30)28-14-18(9-17(28)2)15-29-23-8-7-20(10-21(23)13-27-29)22-11-25-26-12-22;1-16-4-3-5-20(8-16)24(30)28-14-18(9-17(28)2)15-29-23-7-6-19(10-21(23)13-27-29)22-11-25-26-12-22/h2-6,8-9,11-13,16,18H,7,14-15H2,1H3,(H,26,27);3-7,9-13,16-17H,8,14-15H2,1-2H3,(H,25,26);2*3-8,10-13,17-18H,9,14-15H2,1-2H3,(H,25,26)/t16-,18?;16-,17?;2*17-,18?/m0000/s1.
What are the key properties of (3-methoxyphenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(3-methylphenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(4-methylphenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;3-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile?
(3-methoxyphenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(3-methylphenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(4-methylphenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;3-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile has a molecular weight of 1624.97 g/mol, XLogP of 16.41, 17 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(3-methylphenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(4-methylphenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;3-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile is sourced from PubChem (CID 159746160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).