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

C96H97N21O5 — CID 159746161

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

(3-methoxyphenyl)-[(2S,4R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(3-methylphenyl)-[(2S,4R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(4-methylphenyl)-[(2S,4R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;3-[(2S,4R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile (PubChem CID 159746161) has the molecular formula C96H97N21O5 and a molecular weight of 1624.97 g/mol. Its IUPAC name is (3-methoxyphenyl)-[(2S,4R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(3-methylphenyl)-[(2S,4R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(4-methylphenyl)-[(2S,4R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;3-[(2S,4R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile.

Molecular Properties

• Compound Name: (3-methoxyphenyl)-[(2S,4R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(3-methylphenyl)-[(2S,4R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(4-methylphenyl)-[(2S,4R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;3-[(2S,4R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile
• PubChem CID: 159746161
• Molecular Formula: C96H97N21O5
• Molecular Weight: 1624.97 g/mol
• Exact Mass: 1623.80
• IUPAC Name: (3-methoxyphenyl)-[(2S,4R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(3-methylphenyl)-[(2S,4R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(4-methylphenyl)-[(2S,4R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;3-[(2S,4R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile
• SMILES: COc1cccc(C(=O)N2C[C@H](Cn3ncc4cc(-c5cn[nH]c5)ccc43)C[C@@H]2C)c1.C[C@H]1C[C@@H](Cn2ncc3cc(-c4cn[nH]c4)ccc32)CN1C(=O)c1cccc(C#N)c1.Cc1ccc(C(=O)N2C[C@H](Cn3ncc4cc(-c5cn[nH]c5)ccc43)C[C@@H]2C)cc1.Cc1cccc(C(=O)N2C[C@H](Cn3ncc4cc(-c5cn[nH]c5)ccc43)C[C@@H]2C)c1
• InChI: 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
• InChIKey: NDBLRKPWYVEVNQ-QZDJJYQBSA-N
• XLogP: 16.41
• TPSA: 300.26 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 17
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1624.97
LogP ≤ 5	16.41
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-[(2S,4R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(3-methylphenyl)-[(2S,4R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(4-methylphenyl)-[(2S,4R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;3-[(2S,4R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile?

The IUPAC name of (3-methoxyphenyl)-[(2S,4R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(3-methylphenyl)-[(2S,4R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(4-methylphenyl)-[(2S,4R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;3-[(2S,4R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile (CID 159746161) is (3-methoxyphenyl)-[(2S,4R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(3-methylphenyl)-[(2S,4R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(4-methylphenyl)-[(2S,4R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;3-[(2S,4R)-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,4R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(3-methylphenyl)-[(2S,4R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(4-methylphenyl)-[(2S,4R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;3-[(2S,4R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile?

The canonical SMILES for (3-methoxyphenyl)-[(2S,4R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(3-methylphenyl)-[(2S,4R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(4-methylphenyl)-[(2S,4R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;3-[(2S,4R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile is COc1cccc(C(=O)N2C[C@H](Cn3ncc4cc(-c5cn[nH]c5)ccc43)C[C@@H]2C)c1.C[C@H]1C[C@@H](Cn2ncc3cc(-c4cn[nH]c4)ccc32)CN1C(=O)c1cccc(C#N)c1.Cc1ccc(C(=O)N2C[C@H](Cn3ncc4cc(-c5cn[nH]c5)ccc43)C[C@@H]2C)cc1.Cc1cccc(C(=O)N2C[C@H](Cn3ncc4cc(-c5cn[nH]c5)ccc43)C[C@@H]2C)c1.

What is the InChIKey of (3-methoxyphenyl)-[(2S,4R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(3-methylphenyl)-[(2S,4R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(4-methylphenyl)-[(2S,4R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;3-[(2S,4R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile?

The InChIKey is NDBLRKPWYVEVNQ-QZDJJYQBSA-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,4R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(3-methylphenyl)-[(2S,4R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(4-methylphenyl)-[(2S,4R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;3-[(2S,4R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile?

(3-methoxyphenyl)-[(2S,4R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(3-methylphenyl)-[(2S,4R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(4-methylphenyl)-[(2S,4R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;3-[(2S,4R)-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,4R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(3-methylphenyl)-[(2S,4R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(4-methylphenyl)-[(2S,4R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;3-[(2S,4R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile is sourced from PubChem (CID 159746161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).