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

C100H103F5N20O4 — CID 159149176

IUPAC3-(2,3-difluorophenyl)-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;3-(2-fluorophenyl)-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;3-(3-fluorophenyl)-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;3-(4-fluorophenyl)-1-[(2R)-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.C[C@@H]1CC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CN1C(=O)CCc1cccc(F)c1F.C[C@@H]1CC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CN1C(=O)CCc1ccccc1F
InChIInChI=1S/C25H25F2N5O.3C25H26FN5O/c1-16-9-17(14-31(16)24(33)8-6-18-3-2-4-22(26)25(18)27)15-32-23-7-5-19(10-20(23)13-30-32)21-11-28-29-12-21;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;1-17-10-18(15-30(17)25(32)9-7-19-4-2-3-5-23(19)26)16-31-24-8-6-20(11-21(24)14-29-31)22-12-27-28-13-22/h2-5,7,10-13,16-17H,6,8-9,14-15H2,1H3,(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);2-6,8,11-14,17-18H,7,9-10,15-16H2,1H3,(H,27,28)/t16-,17?;2*17-,19?;17-,18?/m1111/s1
InChIKeyKJBGLVGCQIOMAF-UJSMIUDJSA-N
MW1744.05 g/mol
LogP17.88
Rot. Bonds24

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

3-(2,3-difluorophenyl)-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;3-(2-fluorophenyl)-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;3-(3-fluorophenyl)-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;3-(4-fluorophenyl)-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one (PubChem CID 159149176) has the molecular formula C100H103F5N20O4 and a molecular weight of 1744.05 g/mol. Its IUPAC name is 3-(2,3-difluorophenyl)-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;3-(2-fluorophenyl)-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;3-(3-fluorophenyl)-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;3-(4-fluorophenyl)-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(2,3-difluorophenyl)-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;3-(2-fluorophenyl)-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;3-(3-fluorophenyl)-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;3-(4-fluorophenyl)-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one
PubChem CID159149176
Molecular FormulaC100H103F5N20O4
Molecular Weight1744.05 g/mol
Exact Mass1742.84
IUPAC Name3-(2,3-difluorophenyl)-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;3-(2-fluorophenyl)-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;3-(3-fluorophenyl)-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;3-(4-fluorophenyl)-1-[(2R)-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.C[C@@H]1CC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CN1C(=O)CCc1cccc(F)c1F.C[C@@H]1CC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CN1C(=O)CCc1ccccc1F
InChIInChI=1S/C25H25F2N5O.3C25H26FN5O/c1-16-9-17(14-31(16)24(33)8-6-18-3-2-4-22(26)25(18)27)15-32-23-7-5-19(10-20(23)13-30-32)21-11-28-29-12-21;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;1-17-10-18(15-30(17)25(32)9-7-19-4-2-3-5-23(19)26)16-31-24-8-6-20(11-21(24)14-29-31)22-12-27-28-13-22/h2-5,7,10-13,16-17H,6,8-9,14-15H2,1H3,(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);2-6,8,11-14,17-18H,7,9-10,15-16H2,1H3,(H,27,28)/t16-,17?;2*17-,19?;17-,18?/m1111/s1
InChIKeyKJBGLVGCQIOMAF-UJSMIUDJSA-N
XLogP17.88
TPSA267.24 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds24
Heavy Atoms129
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001744.05
LogP ≤ 517.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

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

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Related Compounds

N-[(1R,4R)-2-[(2,6-difluorophenyl)methyl]-2-azabicyclo[2.2.1]heptan-6-yl]-3-(2-methylindazol-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide
CID 91970775
3-(3-fluorophenyl)-1-[2-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one
CID 118353213
3-(4-fluorophenyl)-1-[2-methyl-4-[[2-methyl-5-(1H-pyrazol-4-yl)indol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one
CID 118354831
3-(3-fluorophenyl)-1-[2-methyl-4-[[2-methyl-5-(1H-pyrazol-4-yl)indol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one
CID 118354839
1-[2,2-dimethyl-4-[[2-methyl-5-(1H-pyrazol-4-yl)indol-1-yl]methyl]pyrrolidin-1-yl]-3-(4-fluorophenyl)propan-1-one
CID 118354901
3-(2-fluorophenyl)-1-[2-methyl-4-[[2-methyl-5-(1H-pyrazol-4-yl)indol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one
CID 118354938
(2,3-difluorophenyl)-[(2R,4S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone
CID 118674445
3-(2,4-difluorophenyl)-1-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]propan-1-one
CID 118674446
3-(4-fluorophenyl)-1-[(2R,4S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one
CID 118674462
3-(3-fluorophenyl)-1-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]propan-1-one
CID 118674464
[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]-(3-fluorophenyl)methanone
CID 118674465
(2-fluorophenyl)-[(2R,4S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone
CID 118674470

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-difluorophenyl)-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;3-(2-fluorophenyl)-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;3-(3-fluorophenyl)-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;3-(4-fluorophenyl)-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3-(2,3-difluorophenyl)-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;3-(2-fluorophenyl)-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;3-(3-fluorophenyl)-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;3-(4-fluorophenyl)-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one (CID 159149176) is 3-(2,3-difluorophenyl)-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;3-(2-fluorophenyl)-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;3-(3-fluorophenyl)-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;3-(4-fluorophenyl)-1-[(2R)-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-(2,3-difluorophenyl)-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;3-(2-fluorophenyl)-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;3-(3-fluorophenyl)-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;3-(4-fluorophenyl)-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3-(2,3-difluorophenyl)-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;3-(2-fluorophenyl)-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;3-(3-fluorophenyl)-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;3-(4-fluorophenyl)-1-[(2R)-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.C[C@@H]1CC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CN1C(=O)CCc1cccc(F)c1F.C[C@@H]1CC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CN1C(=O)CCc1ccccc1F.
What is the InChIKey of 3-(2,3-difluorophenyl)-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;3-(2-fluorophenyl)-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;3-(3-fluorophenyl)-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;3-(4-fluorophenyl)-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one?
The InChIKey is KJBGLVGCQIOMAF-UJSMIUDJSA-N. The full InChI is InChI=1S/C25H25F2N5O.3C25H26FN5O/c1-16-9-17(14-31(16)24(33)8-6-18-3-2-4-22(26)25(18)27)15-32-23-7-5-19(10-20(23)13-30-32)21-11-28-29-12-21;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;1-17-10-18(15-30(17)25(32)9-7-19-4-2-3-5-23(19)26)16-31-24-8-6-20(11-21(24)14-29-31)22-12-27-28-13-22/h2-5,7,10-13,16-17H,6,8-9,14-15H2,1H3,(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);2-6,8,11-14,17-18H,7,9-10,15-16H2,1H3,(H,27,28)/t16-,17?;2*17-,19?;17-,18?/m1111/s1.
What are the key properties of 3-(2,3-difluorophenyl)-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;3-(2-fluorophenyl)-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;3-(3-fluorophenyl)-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;3-(4-fluorophenyl)-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one?
3-(2,3-difluorophenyl)-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;3-(2-fluorophenyl)-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;3-(3-fluorophenyl)-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;3-(4-fluorophenyl)-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one has a molecular weight of 1744.05 g/mol, XLogP of 17.88, 24 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-difluorophenyl)-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;3-(2-fluorophenyl)-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;3-(3-fluorophenyl)-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;3-(4-fluorophenyl)-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 159149176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).