1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]-2-phenylethanone;[2-methyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone;1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one;2-methyl-1-[3-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one

C95H110N16O4 — CID 157109381

IUPAC1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]-2-phenylethanone;[2-methyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone;1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one;2-methyl-1-[3-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCC(CN2CCc3cc(-c4cn[nH]c4)ccc32)C1.CC1CC(CN2CCc3cc(-c4cn[nH]c4)ccc32)CN1C(=O)CCc1ccccc1.CC1CC(CN2CCc3cc(-c4cn[nH]c4)ccc32)CN1C(=O)Cc1ccccc1.CC1CC(CN2CCc3cc(-c4cn[nH]c4)ccc32)CN1C(=O)c1ccccc1
InChIInChI=1S/C26H30N4O.C25H28N4O.C24H26N4O.C20H26N4O/c1-19-13-21(18-30(19)26(31)10-7-20-5-3-2-4-6-20)17-29-12-11-23-14-22(8-9-25(23)29)24-15-27-28-16-24;1-18-11-20(17-29(18)25(30)12-19-5-3-2-4-6-19)16-28-10-9-22-13-21(7-8-24(22)28)23-14-26-27-15-23;1-17-11-18(16-28(17)24(29)19-5-3-2-4-6-19)15-27-10-9-21-12-20(7-8-23(21)27)22-13-25-26-14-22;1-14(2)20(25)24-7-5-15(13-24)12-23-8-6-17-9-16(3-4-19(17)23)18-10-21-22-11-18/h2-6,8-9,14-16,19,21H,7,10-13,17-18H2,1H3,(H,27,28);2-8,13-15,18,20H,9-12,16-17H2,1H3,(H,26,27);2-8,12-14,17-18H,9-11,15-16H2,1H3,(H,25,26);3-4,9-11,14-15H,5-8,12-13H2,1-2H3,(H,21,22)
InChIKeyAGQYNICGDSOHCV-UHFFFAOYSA-N
MW1540.03 g/mol
LogP15.16
Rot. Bonds19

About 1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]-2-phenylethanone;[2-methyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone;1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one;2-methyl-1-[3-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one

1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]-2-phenylethanone;[2-methyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone;1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one;2-methyl-1-[3-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one (PubChem CID 157109381) has the molecular formula C95H110N16O4 and a molecular weight of 1540.03 g/mol. Its IUPAC name is 1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]-2-phenylethanone;[2-methyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone;1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one;2-methyl-1-[3-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]-2-phenylethanone;[2-methyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone;1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one;2-methyl-1-[3-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one
PubChem CID157109381
Molecular FormulaC95H110N16O4
Molecular Weight1540.03 g/mol
Exact Mass1538.89
IUPAC Name1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]-2-phenylethanone;[2-methyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone;1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one;2-methyl-1-[3-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCC(CN2CCc3cc(-c4cn[nH]c4)ccc32)C1.CC1CC(CN2CCc3cc(-c4cn[nH]c4)ccc32)CN1C(=O)CCc1ccccc1.CC1CC(CN2CCc3cc(-c4cn[nH]c4)ccc32)CN1C(=O)Cc1ccccc1.CC1CC(CN2CCc3cc(-c4cn[nH]c4)ccc32)CN1C(=O)c1ccccc1
InChIInChI=1S/C26H30N4O.C25H28N4O.C24H26N4O.C20H26N4O/c1-19-13-21(18-30(19)26(31)10-7-20-5-3-2-4-6-20)17-29-12-11-23-14-22(8-9-25(23)29)24-15-27-28-16-24;1-18-11-20(17-29(18)25(30)12-19-5-3-2-4-6-19)16-28-10-9-22-13-21(7-8-24(22)28)23-14-26-27-15-23;1-17-11-18(16-28(17)24(29)19-5-3-2-4-6-19)15-27-10-9-21-12-20(7-8-23(21)27)22-13-25-26-14-22;1-14(2)20(25)24-7-5-15(13-24)12-23-8-6-17-9-16(3-4-19(17)23)18-10-21-22-11-18/h2-6,8-9,14-16,19,21H,7,10-13,17-18H2,1H3,(H,27,28);2-8,13-15,18,20H,9-12,16-17H2,1H3,(H,26,27);2-8,12-14,17-18H,9-11,15-16H2,1H3,(H,25,26);3-4,9-11,14-15H,5-8,12-13H2,1-2H3,(H,21,22)
InChIKeyAGQYNICGDSOHCV-UHFFFAOYSA-N
XLogP15.16
TPSA208.92 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds19
Heavy Atoms115
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001540.03
LogP ≤ 515.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze 1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]-2-phenylethanone;[2-methyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone;1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one;2-methyl-1-[3-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one with MolForge

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Related Compounds

(2,3-difluorophenyl)-[(2R,4S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone
CID 118674445
(2-fluorophenyl)-[(2R,4S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone
CID 118674470
(2,3-difluorophenyl)-[(2R,4R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone
CID 118674492
(4-fluorophenyl)-[(2R,4S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone
CID 118674530
(4-fluorophenyl)-[(2R,4R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone
CID 118674579
(3-fluorophenyl)-[(2R,4S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone
CID 118674583
(3-fluorophenyl)-[(2R,4R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone
CID 118674584
(4-fluorophenyl)-[2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone
CID 118682160
(2,3-difluorophenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone
CID 118682188
(4-fluorophenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone
CID 118682193
(2-fluorophenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone
CID 118682200
(3-fluorophenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone
CID 118682202

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]-2-phenylethanone;[2-methyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone;1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one;2-methyl-1-[3-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]-2-phenylethanone;[2-methyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone;1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one;2-methyl-1-[3-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one (CID 157109381) is 1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]-2-phenylethanone;[2-methyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone;1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one;2-methyl-1-[3-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]-2-phenylethanone;[2-methyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone;1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one;2-methyl-1-[3-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]-2-phenylethanone;[2-methyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone;1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one;2-methyl-1-[3-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one is CC(C)C(=O)N1CCC(CN2CCc3cc(-c4cn[nH]c4)ccc32)C1.CC1CC(CN2CCc3cc(-c4cn[nH]c4)ccc32)CN1C(=O)CCc1ccccc1.CC1CC(CN2CCc3cc(-c4cn[nH]c4)ccc32)CN1C(=O)Cc1ccccc1.CC1CC(CN2CCc3cc(-c4cn[nH]c4)ccc32)CN1C(=O)c1ccccc1.
What is the InChIKey of 1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]-2-phenylethanone;[2-methyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone;1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one;2-methyl-1-[3-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one?
The InChIKey is AGQYNICGDSOHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O.C25H28N4O.C24H26N4O.C20H26N4O/c1-19-13-21(18-30(19)26(31)10-7-20-5-3-2-4-6-20)17-29-12-11-23-14-22(8-9-25(23)29)24-15-27-28-16-24;1-18-11-20(17-29(18)25(30)12-19-5-3-2-4-6-19)16-28-10-9-22-13-21(7-8-24(22)28)23-14-26-27-15-23;1-17-11-18(16-28(17)24(29)19-5-3-2-4-6-19)15-27-10-9-21-12-20(7-8-23(21)27)22-13-25-26-14-22;1-14(2)20(25)24-7-5-15(13-24)12-23-8-6-17-9-16(3-4-19(17)23)18-10-21-22-11-18/h2-6,8-9,14-16,19,21H,7,10-13,17-18H2,1H3,(H,27,28);2-8,13-15,18,20H,9-12,16-17H2,1H3,(H,26,27);2-8,12-14,17-18H,9-11,15-16H2,1H3,(H,25,26);3-4,9-11,14-15H,5-8,12-13H2,1-2H3,(H,21,22).
What are the key properties of 1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]-2-phenylethanone;[2-methyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone;1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one;2-methyl-1-[3-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one?
1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]-2-phenylethanone;[2-methyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone;1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one;2-methyl-1-[3-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one has a molecular weight of 1540.03 g/mol, XLogP of 15.16, 19 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]-2-phenylethanone;[2-methyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone;1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one;2-methyl-1-[3-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 157109381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).