(2,3-difluorophenyl)-[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]-(2-fluorophenyl)methanone;[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]-(3-methoxyphenyl)methanone;[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]-(4-methylphenyl)methanone

C98H101F3N20O5 — CID 158688545

About (2,3-difluorophenyl)-[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]-(2-fluorophenyl)methanone;[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]-(3-methoxyphenyl)methanone;[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]-(4-methylphenyl)methanone

(2,3-difluorophenyl)-[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]-(2-fluorophenyl)methanone;[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]-(3-methoxyphenyl)methanone;[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]-(4-methylphenyl)methanone (PubChem CID 158688545) has the molecular formula C98H101F3N20O5 and a molecular weight of 1696.01 g/mol. Its IUPAC name is (2,3-difluorophenyl)-[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]-(2-fluorophenyl)methanone;[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]-(3-methoxyphenyl)methanone;[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]-(4-methylphenyl)methanone.

Molecular Properties

• Compound Name: (2,3-difluorophenyl)-[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]-(2-fluorophenyl)methanone;[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]-(3-methoxyphenyl)methanone;[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]-(4-methylphenyl)methanone
• PubChem CID: 158688545
• Molecular Formula: C98H101F3N20O5
• Molecular Weight: 1696.01 g/mol
• Exact Mass: 1694.82
• IUPAC Name: (2,3-difluorophenyl)-[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]-(2-fluorophenyl)methanone;[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]-(3-methoxyphenyl)methanone;[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]-(4-methylphenyl)methanone
• SMILES: CC1(C)CC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CN1C(=O)c1cccc(F)c1F.CC1(C)CC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CN1C(=O)c1ccccc1F.COc1cccc(C(=O)N2CC(Cn3ncc4cc(-c5cn[nH]c5)ccc43)CC2(C)C)c1.Cc1ccc(C(=O)N2CC(Cn3ncc4cc(-c5cn[nH]c5)ccc43)CC2(C)C)cc1
• InChI: InChI=1S/C25H27N5O2.C25H27N5O.C24H23F2N5O.C24H24FN5O/c1-25(2)11-17(15-29(25)24(31)19-5-4-6-22(10-19)32-3)16-30-23-8-7-18(9-20(23)14-28-30)21-12-26-27-13-21;1-17-4-6-19(7-5-17)24(31)29-15-18(11-25(29,2)3)16-30-23-9-8-20(10-21(23)14-28-30)22-12-26-27-13-22;1-24(2)9-15(13-30(24)23(32)19-4-3-5-20(25)22(19)26)14-31-21-7-6-16(8-17(21)12-29-31)18-10-27-28-11-18;1-24(2)10-16(14-29(24)23(31)20-5-3-4-6-21(20)25)15-30-22-8-7-17(9-18(22)13-28-30)19-11-26-27-12-19/h4-10,12-14,17H,11,15-16H2,1-3H3,(H,26,27);4-10,12-14,18H,11,15-16H2,1-3H3,(H,26,27);3-8,10-12,15H,9,13-14H2,1-2H3,(H,27,28);3-9,11-13,16H,10,14-15H2,1-2H3,(H,26,27)
• InChIKey: IGAXUQUBYRSUQL-UHFFFAOYSA-N
• XLogP: 18.20
• TPSA: 276.47 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 17
• Rotatable Bonds: 17
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1696.01
LogP ≤ 5	18.20
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of (2,3-difluorophenyl)-[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]-(2-fluorophenyl)methanone;[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]-(3-methoxyphenyl)methanone;[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]-(4-methylphenyl)methanone?

The IUPAC name of (2,3-difluorophenyl)-[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]-(2-fluorophenyl)methanone;[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]-(3-methoxyphenyl)methanone;[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]-(4-methylphenyl)methanone (CID 158688545) is (2,3-difluorophenyl)-[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]-(2-fluorophenyl)methanone;[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]-(3-methoxyphenyl)methanone;[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]-(4-methylphenyl)methanone.

What is the SMILES notation for (2,3-difluorophenyl)-[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]-(2-fluorophenyl)methanone;[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]-(3-methoxyphenyl)methanone;[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]-(4-methylphenyl)methanone?

The canonical SMILES for (2,3-difluorophenyl)-[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]-(2-fluorophenyl)methanone;[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]-(3-methoxyphenyl)methanone;[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]-(4-methylphenyl)methanone is CC1(C)CC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CN1C(=O)c1cccc(F)c1F.CC1(C)CC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CN1C(=O)c1ccccc1F.COc1cccc(C(=O)N2CC(Cn3ncc4cc(-c5cn[nH]c5)ccc43)CC2(C)C)c1.Cc1ccc(C(=O)N2CC(Cn3ncc4cc(-c5cn[nH]c5)ccc43)CC2(C)C)cc1.

What is the InChIKey of (2,3-difluorophenyl)-[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]-(2-fluorophenyl)methanone;[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]-(3-methoxyphenyl)methanone;[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]-(4-methylphenyl)methanone?

The InChIKey is IGAXUQUBYRSUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O2.C25H27N5O.C24H23F2N5O.C24H24FN5O/c1-25(2)11-17(15-29(25)24(31)19-5-4-6-22(10-19)32-3)16-30-23-8-7-18(9-20(23)14-28-30)21-12-26-27-13-21;1-17-4-6-19(7-5-17)24(31)29-15-18(11-25(29,2)3)16-30-23-9-8-20(10-21(23)14-28-30)22-12-26-27-13-22;1-24(2)9-15(13-30(24)23(32)19-4-3-5-20(25)22(19)26)14-31-21-7-6-16(8-17(21)12-29-31)18-10-27-28-11-18;1-24(2)10-16(14-29(24)23(31)20-5-3-4-6-21(20)25)15-30-22-8-7-17(9-18(22)13-28-30)19-11-26-27-12-19/h4-10,12-14,17H,11,15-16H2,1-3H3,(H,26,27);4-10,12-14,18H,11,15-16H2,1-3H3,(H,26,27);3-8,10-12,15H,9,13-14H2,1-2H3,(H,27,28);3-9,11-13,16H,10,14-15H2,1-2H3,(H,26,27).

What are the key properties of (2,3-difluorophenyl)-[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]-(2-fluorophenyl)methanone;[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]-(3-methoxyphenyl)methanone;[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]-(4-methylphenyl)methanone?

(2,3-difluorophenyl)-[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]-(2-fluorophenyl)methanone;[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]-(3-methoxyphenyl)methanone;[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]-(4-methylphenyl)methanone has a molecular weight of 1696.01 g/mol, XLogP of 18.20, 17 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for (2,3-difluorophenyl)-[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]-(2-fluorophenyl)methanone;[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]-(3-methoxyphenyl)methanone;[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 158688545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).