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

C94H93F3N20O5 — CID 159872162

IUPAC(2,3-difluorophenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(2-fluorophenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(3-methoxyphenyl)-[(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
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(F)c1F.C[C@H]1CC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CN1C(=O)c1ccccc1F.Cc1ccc(C(=O)N2CC(Cn3ncc4cc(-c5cn[nH]c5)ccc43)C[C@@H]2C)cc1
InChIInChI=1S/C24H25N5O2.C24H25N5O.C23H21F2N5O.C23H22FN5O/c1-16-8-17(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;1-14-7-15(12-29(14)23(31)19-3-2-4-20(24)22(19)25)13-30-21-6-5-16(8-17(21)11-28-30)18-9-26-27-10-18;1-15-8-16(13-28(15)23(30)20-4-2-3-5-21(20)24)14-29-22-7-6-17(9-18(22)12-27-29)19-10-25-26-11-19/h3-7,9-13,16-17H,8,14-15H2,1-2H3,(H,25,26);3-8,10-13,17-18H,9,14-15H2,1-2H3,(H,25,26);2-6,8-11,14-15H,7,12-13H2,1H3,(H,26,27);2-7,9-12,15-16H,8,13-14H2,1H3,(H,25,26)/t16-,17?;17-,18?;14-,15?;15-,16?/m0000/s1
InChIKeyNSMJOYLVNIFVGA-LLOLCKIDSA-N
MW1639.91 g/mol
LogP16.64
Rot. Bonds17

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

(2,3-difluorophenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(2-fluorophenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(3-methoxyphenyl)-[(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 (PubChem CID 159872162) has the molecular formula C94H93F3N20O5 and a molecular weight of 1639.91 g/mol. Its IUPAC name is (2,3-difluorophenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(2-fluorophenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(3-methoxyphenyl)-[(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.

Molecular Properties

Compound Name(2,3-difluorophenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(2-fluorophenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(3-methoxyphenyl)-[(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
PubChem CID159872162
Molecular FormulaC94H93F3N20O5
Molecular Weight1639.91 g/mol
Exact Mass1638.76
IUPAC Name(2,3-difluorophenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(2-fluorophenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(3-methoxyphenyl)-[(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
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(F)c1F.C[C@H]1CC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CN1C(=O)c1ccccc1F.Cc1ccc(C(=O)N2CC(Cn3ncc4cc(-c5cn[nH]c5)ccc43)C[C@@H]2C)cc1
InChIInChI=1S/C24H25N5O2.C24H25N5O.C23H21F2N5O.C23H22FN5O/c1-16-8-17(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;1-14-7-15(12-29(14)23(31)19-3-2-4-20(24)22(19)25)13-30-21-6-5-16(8-17(21)11-28-30)18-9-26-27-10-18;1-15-8-16(13-28(15)23(30)20-4-2-3-5-21(20)24)14-29-22-7-6-17(9-18(22)12-27-29)19-10-25-26-11-19/h3-7,9-13,16-17H,8,14-15H2,1-2H3,(H,25,26);3-8,10-13,17-18H,9,14-15H2,1-2H3,(H,25,26);2-6,8-11,14-15H,7,12-13H2,1H3,(H,26,27);2-7,9-12,15-16H,8,13-14H2,1H3,(H,25,26)/t16-,17?;17-,18?;14-,15?;15-,16?/m0000/s1
InChIKeyNSMJOYLVNIFVGA-LLOLCKIDSA-N
XLogP16.64
TPSA276.47 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds17
Heavy Atoms122
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001639.91
LogP ≤ 516.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

Analyze (2,3-difluorophenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(2-fluorophenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(3-methoxyphenyl)-[(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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2,3-difluorophenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(2-fluorophenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(3-methoxyphenyl)-[(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?
The IUPAC name of (2,3-difluorophenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(2-fluorophenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(3-methoxyphenyl)-[(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 (CID 159872162) is (2,3-difluorophenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(2-fluorophenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(3-methoxyphenyl)-[(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.
What is the SMILES notation for (2,3-difluorophenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(2-fluorophenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(3-methoxyphenyl)-[(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?
The canonical SMILES for (2,3-difluorophenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(2-fluorophenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(3-methoxyphenyl)-[(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 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(F)c1F.C[C@H]1CC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CN1C(=O)c1ccccc1F.Cc1ccc(C(=O)N2CC(Cn3ncc4cc(-c5cn[nH]c5)ccc43)C[C@@H]2C)cc1.
What is the InChIKey of (2,3-difluorophenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(2-fluorophenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(3-methoxyphenyl)-[(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?
The InChIKey is NSMJOYLVNIFVGA-LLOLCKIDSA-N. The full InChI is InChI=1S/C24H25N5O2.C24H25N5O.C23H21F2N5O.C23H22FN5O/c1-16-8-17(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;1-14-7-15(12-29(14)23(31)19-3-2-4-20(24)22(19)25)13-30-21-6-5-16(8-17(21)11-28-30)18-9-26-27-10-18;1-15-8-16(13-28(15)23(30)20-4-2-3-5-21(20)24)14-29-22-7-6-17(9-18(22)12-27-29)19-10-25-26-11-19/h3-7,9-13,16-17H,8,14-15H2,1-2H3,(H,25,26);3-8,10-13,17-18H,9,14-15H2,1-2H3,(H,25,26);2-6,8-11,14-15H,7,12-13H2,1H3,(H,26,27);2-7,9-12,15-16H,8,13-14H2,1H3,(H,25,26)/t16-,17?;17-,18?;14-,15?;15-,16?/m0000/s1.
What are the key properties of (2,3-difluorophenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(2-fluorophenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(3-methoxyphenyl)-[(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?
(2,3-difluorophenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(2-fluorophenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(3-methoxyphenyl)-[(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 has a molecular weight of 1639.91 g/mol, XLogP of 16.64, 17 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluorophenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(2-fluorophenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(3-methoxyphenyl)-[(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 is sourced from PubChem (CID 159872162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).