3-(2-fluoro-4-methylphenyl)-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;3-(4-fluoro-3-methylphenyl)-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;3-(3-fluorophenyl)-1-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;3-(4-fluorophenyl)-1-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one

C102H108F4N20O4 — CID 161068235

IUPAC3-(2-fluoro-4-methylphenyl)-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;3-(4-fluoro-3-methylphenyl)-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;3-(3-fluorophenyl)-1-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;3-(4-fluorophenyl)-1-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one
SMILESC[C@H]1CC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CN1C(=O)CCc1ccc(F)cc1.C[C@H]1CC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CN1C(=O)CCc1cccc(F)c1.Cc1cc(CCC(=O)N2CC(Cn3ncc4cc(-c5cn[nH]c5)ccc43)C[C@H]2C)ccc1F.Cc1ccc(CCC(=O)N2CC(Cn3ncc4cc(-c5cn[nH]c5)ccc43)C[C@H]2C)c(F)c1
InChIInChI=1S/2C26H28FN5O.2C25H26FN5O/c1-17-9-19(3-6-24(17)27)4-8-26(33)31-15-20(10-18(31)2)16-32-25-7-5-21(11-22(25)14-30-32)23-12-28-29-13-23;1-17-3-4-20(24(27)9-17)6-8-26(33)31-15-19(10-18(31)2)16-32-25-7-5-21(11-22(25)14-30-32)23-12-28-29-13-23;1-17-10-19(15-30(17)25(32)9-4-18-2-6-23(26)7-3-18)16-31-24-8-5-20(11-21(24)14-29-31)22-12-27-28-13-22;1-17-9-19(15-30(17)25(32)8-5-18-3-2-4-23(26)10-18)16-31-24-7-6-20(11-21(24)14-29-31)22-12-27-28-13-22/h3,5-7,9,11-14,18,20H,4,8,10,15-16H2,1-2H3,(H,28,29);3-5,7,9,11-14,18-19H,6,8,10,15-16H2,1-2H3,(H,28,29);2-3,5-8,11-14,17,19H,4,9-10,15-16H2,1H3,(H,27,28);2-4,6-7,10-14,17,19H,5,8-9,15-16H2,1H3,(H,27,28)/t18-,20?;18-,19?;2*17-,19?/m1100/s1
InChIKeyUEHVLUFOINJNTK-OAYLLPTRSA-N
MW1754.11 g/mol
LogP18.36
Rot. Bonds24

About 3-(2-fluoro-4-methylphenyl)-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;3-(4-fluoro-3-methylphenyl)-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;3-(3-fluorophenyl)-1-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;3-(4-fluorophenyl)-1-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one

3-(2-fluoro-4-methylphenyl)-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;3-(4-fluoro-3-methylphenyl)-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;3-(3-fluorophenyl)-1-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;3-(4-fluorophenyl)-1-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one (PubChem CID 161068235) has the molecular formula C102H108F4N20O4 and a molecular weight of 1754.11 g/mol. Its IUPAC name is 3-(2-fluoro-4-methylphenyl)-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;3-(4-fluoro-3-methylphenyl)-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;3-(3-fluorophenyl)-1-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;3-(4-fluorophenyl)-1-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(2-fluoro-4-methylphenyl)-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;3-(4-fluoro-3-methylphenyl)-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;3-(3-fluorophenyl)-1-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;3-(4-fluorophenyl)-1-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one
PubChem CID161068235
Molecular FormulaC102H108F4N20O4
Molecular Weight1754.11 g/mol
Exact Mass1752.88
IUPAC Name3-(2-fluoro-4-methylphenyl)-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;3-(4-fluoro-3-methylphenyl)-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;3-(3-fluorophenyl)-1-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;3-(4-fluorophenyl)-1-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one
SMILESC[C@H]1CC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CN1C(=O)CCc1ccc(F)cc1.C[C@H]1CC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CN1C(=O)CCc1cccc(F)c1.Cc1cc(CCC(=O)N2CC(Cn3ncc4cc(-c5cn[nH]c5)ccc43)C[C@H]2C)ccc1F.Cc1ccc(CCC(=O)N2CC(Cn3ncc4cc(-c5cn[nH]c5)ccc43)C[C@H]2C)c(F)c1
InChIInChI=1S/2C26H28FN5O.2C25H26FN5O/c1-17-9-19(3-6-24(17)27)4-8-26(33)31-15-20(10-18(31)2)16-32-25-7-5-21(11-22(25)14-30-32)23-12-28-29-13-23;1-17-3-4-20(24(27)9-17)6-8-26(33)31-15-19(10-18(31)2)16-32-25-7-5-21(11-22(25)14-30-32)23-12-28-29-13-23;1-17-10-19(15-30(17)25(32)9-4-18-2-6-23(26)7-3-18)16-31-24-8-5-20(11-21(24)14-29-31)22-12-27-28-13-22;1-17-9-19(15-30(17)25(32)8-5-18-3-2-4-23(26)10-18)16-31-24-7-6-20(11-21(24)14-29-31)22-12-27-28-13-22/h3,5-7,9,11-14,18,20H,4,8,10,15-16H2,1-2H3,(H,28,29);3-5,7,9,11-14,18-19H,6,8,10,15-16H2,1-2H3,(H,28,29);2-3,5-8,11-14,17,19H,4,9-10,15-16H2,1H3,(H,27,28);2-4,6-7,10-14,17,19H,5,8-9,15-16H2,1H3,(H,27,28)/t18-,20?;18-,19?;2*17-,19?/m1100/s1
InChIKeyUEHVLUFOINJNTK-OAYLLPTRSA-N
XLogP18.36
TPSA267.24 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds24
Heavy Atoms130
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001754.11
LogP ≤ 518.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Analyze 3-(2-fluoro-4-methylphenyl)-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;3-(4-fluoro-3-methylphenyl)-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;3-(3-fluorophenyl)-1-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;3-(4-fluorophenyl)-1-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4-methylphenyl)-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;3-(4-fluoro-3-methylphenyl)-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;3-(3-fluorophenyl)-1-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;3-(4-fluorophenyl)-1-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3-(2-fluoro-4-methylphenyl)-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;3-(4-fluoro-3-methylphenyl)-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;3-(3-fluorophenyl)-1-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;3-(4-fluorophenyl)-1-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one (CID 161068235) is 3-(2-fluoro-4-methylphenyl)-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;3-(4-fluoro-3-methylphenyl)-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;3-(3-fluorophenyl)-1-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;3-(4-fluorophenyl)-1-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(2-fluoro-4-methylphenyl)-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;3-(4-fluoro-3-methylphenyl)-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;3-(3-fluorophenyl)-1-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;3-(4-fluorophenyl)-1-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3-(2-fluoro-4-methylphenyl)-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;3-(4-fluoro-3-methylphenyl)-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;3-(3-fluorophenyl)-1-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;3-(4-fluorophenyl)-1-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one is C[C@H]1CC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CN1C(=O)CCc1ccc(F)cc1.C[C@H]1CC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CN1C(=O)CCc1cccc(F)c1.Cc1cc(CCC(=O)N2CC(Cn3ncc4cc(-c5cn[nH]c5)ccc43)C[C@H]2C)ccc1F.Cc1ccc(CCC(=O)N2CC(Cn3ncc4cc(-c5cn[nH]c5)ccc43)C[C@H]2C)c(F)c1.
What is the InChIKey of 3-(2-fluoro-4-methylphenyl)-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;3-(4-fluoro-3-methylphenyl)-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;3-(3-fluorophenyl)-1-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;3-(4-fluorophenyl)-1-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one?
The InChIKey is UEHVLUFOINJNTK-OAYLLPTRSA-N. The full InChI is InChI=1S/2C26H28FN5O.2C25H26FN5O/c1-17-9-19(3-6-24(17)27)4-8-26(33)31-15-20(10-18(31)2)16-32-25-7-5-21(11-22(25)14-30-32)23-12-28-29-13-23;1-17-3-4-20(24(27)9-17)6-8-26(33)31-15-19(10-18(31)2)16-32-25-7-5-21(11-22(25)14-30-32)23-12-28-29-13-23;1-17-10-19(15-30(17)25(32)9-4-18-2-6-23(26)7-3-18)16-31-24-8-5-20(11-21(24)14-29-31)22-12-27-28-13-22;1-17-9-19(15-30(17)25(32)8-5-18-3-2-4-23(26)10-18)16-31-24-7-6-20(11-21(24)14-29-31)22-12-27-28-13-22/h3,5-7,9,11-14,18,20H,4,8,10,15-16H2,1-2H3,(H,28,29);3-5,7,9,11-14,18-19H,6,8,10,15-16H2,1-2H3,(H,28,29);2-3,5-8,11-14,17,19H,4,9-10,15-16H2,1H3,(H,27,28);2-4,6-7,10-14,17,19H,5,8-9,15-16H2,1H3,(H,27,28)/t18-,20?;18-,19?;2*17-,19?/m1100/s1.
What are the key properties of 3-(2-fluoro-4-methylphenyl)-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;3-(4-fluoro-3-methylphenyl)-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;3-(3-fluorophenyl)-1-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;3-(4-fluorophenyl)-1-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one?
3-(2-fluoro-4-methylphenyl)-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;3-(4-fluoro-3-methylphenyl)-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;3-(3-fluorophenyl)-1-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;3-(4-fluorophenyl)-1-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one has a molecular weight of 1754.11 g/mol, XLogP of 18.36, 24 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4-methylphenyl)-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;3-(4-fluoro-3-methylphenyl)-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;3-(3-fluorophenyl)-1-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;3-(4-fluorophenyl)-1-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 161068235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).