1-[1-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]piperidin-3-yl]-3-phenylpropan-2-one;N-[6-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]pyrazin-2-yl]-2-phenylacetamide;1-[1-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]pyrazol-4-yl]-3-phenylpropan-2-one;N-[4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]pyrimidin-2-yl]-2-phenylacetamide;1-[1-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]pyrrolidin-3-yl]-3-phenylpropan-2-one

C143H135N15O10 — CID 157067298

IUPAC1-[1-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]piperidin-3-yl]-3-phenylpropan-2-one;N-[6-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]pyrazin-2-yl]-2-phenylacetamide;1-[1-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]pyrazol-4-yl]-3-phenylpropan-2-one;N-[4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]pyrimidin-2-yl]-2-phenylacetamide;1-[1-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]pyrrolidin-3-yl]-3-phenylpropan-2-one
SMILESCc1ccccc1C(=O)N1CCc2cc(-c3ccnc(NC(=O)Cc4ccccc4)n3)ccc21.Cc1ccccc1C(=O)N1CCc2cc(-c3cncc(NC(=O)Cc4ccccc4)n3)ccc21.Cc1ccccc1C(=O)N1CCc2cc(-n3cc(CC(=O)Cc4ccccc4)cn3)ccc21.Cc1ccccc1C(=O)N1CCc2cc(N3CCC(CC(=O)Cc4ccccc4)C3)ccc21.Cc1ccccc1C(=O)N1CCc2cc(N3CCCC(CC(=O)Cc4ccccc4)C3)ccc21
InChIInChI=1S/C30H32N2O2.C29H30N2O2.2C28H24N4O2.C28H25N3O2/c1-22-8-5-6-12-28(22)30(34)32-17-15-25-20-26(13-14-29(25)32)31-16-7-11-24(21-31)19-27(33)18-23-9-3-2-4-10-23;1-21-7-5-6-10-27(21)29(33)31-16-14-24-19-25(11-12-28(24)31)30-15-13-23(20-30)18-26(32)17-22-8-3-2-4-9-22;1-19-7-5-6-10-23(19)27(34)32-16-14-22-18-21(11-12-25(22)32)24-13-15-29-28(30-24)31-26(33)17-20-8-3-2-4-9-20;1-19-7-5-6-10-23(19)28(34)32-14-13-22-16-21(11-12-25(22)32)24-17-29-18-26(30-24)31-27(33)15-20-8-3-2-4-9-20;1-20-7-5-6-10-26(20)28(33)30-14-13-23-17-24(11-12-27(23)30)31-19-22(18-29-31)16-25(32)15-21-8-3-2-4-9-21/h2-6,8-10,12-14,20,24H,7,11,15-19,21H2,1H3;2-12,19,23H,13-18,20H2,1H3;2-13,15,18H,14,16-17H2,1H3,(H,29,30,31,33);2-12,16-18H,13-15H2,1H3,(H,30,31,33);2-12,17-19H,13-16H2,1H3
InChIKeyACAIPNZGMHKVND-UHFFFAOYSA-N
MW2223.75 g/mol
LogP25.25
Rot. Bonds28

About 1-[1-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]piperidin-3-yl]-3-phenylpropan-2-one;N-[6-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]pyrazin-2-yl]-2-phenylacetamide;1-[1-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]pyrazol-4-yl]-3-phenylpropan-2-one;N-[4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]pyrimidin-2-yl]-2-phenylacetamide;1-[1-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]pyrrolidin-3-yl]-3-phenylpropan-2-one

1-[1-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]piperidin-3-yl]-3-phenylpropan-2-one;N-[6-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]pyrazin-2-yl]-2-phenylacetamide;1-[1-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]pyrazol-4-yl]-3-phenylpropan-2-one;N-[4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]pyrimidin-2-yl]-2-phenylacetamide;1-[1-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]pyrrolidin-3-yl]-3-phenylpropan-2-one (PubChem CID 157067298) has the molecular formula C143H135N15O10 and a molecular weight of 2223.75 g/mol. Its IUPAC name is 1-[1-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]piperidin-3-yl]-3-phenylpropan-2-one;N-[6-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]pyrazin-2-yl]-2-phenylacetamide;1-[1-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]pyrazol-4-yl]-3-phenylpropan-2-one;N-[4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]pyrimidin-2-yl]-2-phenylacetamide;1-[1-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]pyrrolidin-3-yl]-3-phenylpropan-2-one.

Molecular Properties

Compound Name1-[1-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]piperidin-3-yl]-3-phenylpropan-2-one;N-[6-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]pyrazin-2-yl]-2-phenylacetamide;1-[1-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]pyrazol-4-yl]-3-phenylpropan-2-one;N-[4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]pyrimidin-2-yl]-2-phenylacetamide;1-[1-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]pyrrolidin-3-yl]-3-phenylpropan-2-one
PubChem CID157067298
Molecular FormulaC143H135N15O10
Molecular Weight2223.75 g/mol
Exact Mass2222.05
IUPAC Name1-[1-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]piperidin-3-yl]-3-phenylpropan-2-one;N-[6-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]pyrazin-2-yl]-2-phenylacetamide;1-[1-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]pyrazol-4-yl]-3-phenylpropan-2-one;N-[4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]pyrimidin-2-yl]-2-phenylacetamide;1-[1-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]pyrrolidin-3-yl]-3-phenylpropan-2-one
SMILESCc1ccccc1C(=O)N1CCc2cc(-c3ccnc(NC(=O)Cc4ccccc4)n3)ccc21.Cc1ccccc1C(=O)N1CCc2cc(-c3cncc(NC(=O)Cc4ccccc4)n3)ccc21.Cc1ccccc1C(=O)N1CCc2cc(-n3cc(CC(=O)Cc4ccccc4)cn3)ccc21.Cc1ccccc1C(=O)N1CCc2cc(N3CCC(CC(=O)Cc4ccccc4)C3)ccc21.Cc1ccccc1C(=O)N1CCc2cc(N3CCCC(CC(=O)Cc4ccccc4)C3)ccc21
InChIInChI=1S/C30H32N2O2.C29H30N2O2.2C28H24N4O2.C28H25N3O2/c1-22-8-5-6-12-28(22)30(34)32-17-15-25-20-26(13-14-29(25)32)31-16-7-11-24(21-31)19-27(33)18-23-9-3-2-4-10-23;1-21-7-5-6-10-27(21)29(33)31-16-14-24-19-25(11-12-28(24)31)30-15-13-23(20-30)18-26(32)17-22-8-3-2-4-9-22;1-19-7-5-6-10-23(19)27(34)32-16-14-22-18-21(11-12-25(22)32)24-13-15-29-28(30-24)31-26(33)17-20-8-3-2-4-9-20;1-19-7-5-6-10-23(19)28(34)32-14-13-22-16-21(11-12-25(22)32)24-17-29-18-26(30-24)31-27(33)15-20-8-3-2-4-9-20;1-20-7-5-6-10-26(20)28(33)30-14-13-23-17-24(11-12-27(23)30)31-19-22(18-29-31)16-25(32)15-21-8-3-2-4-9-21/h2-6,8-10,12-14,20,24H,7,11,15-19,21H2,1H3;2-12,19,23H,13-18,20H2,1H3;2-13,15,18H,14,16-17H2,1H3,(H,29,30,31,33);2-12,16-18H,13-15H2,1H3,(H,30,31,33);2-12,17-19H,13-16H2,1H3
InChIKeyACAIPNZGMHKVND-UHFFFAOYSA-N
XLogP25.25
TPSA286.82 Ų
H-Bond Donors2
H-Bond Acceptors18
Rotatable Bonds28
Heavy Atoms168
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002223.75
LogP ≤ 525.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 1-[1-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]piperidin-3-yl]-3-phenylpropan-2-one;N-[6-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]pyrazin-2-yl]-2-phenylacetamide;1-[1-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]pyrazol-4-yl]-3-phenylpropan-2-one;N-[4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]pyrimidin-2-yl]-2-phenylacetamide;1-[1-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]pyrrolidin-3-yl]-3-phenylpropan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]piperidin-3-yl]-3-phenylpropan-2-one;N-[6-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]pyrazin-2-yl]-2-phenylacetamide;1-[1-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]pyrazol-4-yl]-3-phenylpropan-2-one;N-[4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]pyrimidin-2-yl]-2-phenylacetamide;1-[1-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]pyrrolidin-3-yl]-3-phenylpropan-2-one?
The IUPAC name of 1-[1-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]piperidin-3-yl]-3-phenylpropan-2-one;N-[6-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]pyrazin-2-yl]-2-phenylacetamide;1-[1-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]pyrazol-4-yl]-3-phenylpropan-2-one;N-[4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]pyrimidin-2-yl]-2-phenylacetamide;1-[1-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]pyrrolidin-3-yl]-3-phenylpropan-2-one (CID 157067298) is 1-[1-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]piperidin-3-yl]-3-phenylpropan-2-one;N-[6-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]pyrazin-2-yl]-2-phenylacetamide;1-[1-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]pyrazol-4-yl]-3-phenylpropan-2-one;N-[4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]pyrimidin-2-yl]-2-phenylacetamide;1-[1-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]pyrrolidin-3-yl]-3-phenylpropan-2-one.
What is the SMILES notation for 1-[1-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]piperidin-3-yl]-3-phenylpropan-2-one;N-[6-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]pyrazin-2-yl]-2-phenylacetamide;1-[1-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]pyrazol-4-yl]-3-phenylpropan-2-one;N-[4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]pyrimidin-2-yl]-2-phenylacetamide;1-[1-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]pyrrolidin-3-yl]-3-phenylpropan-2-one?
The canonical SMILES for 1-[1-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]piperidin-3-yl]-3-phenylpropan-2-one;N-[6-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]pyrazin-2-yl]-2-phenylacetamide;1-[1-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]pyrazol-4-yl]-3-phenylpropan-2-one;N-[4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]pyrimidin-2-yl]-2-phenylacetamide;1-[1-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]pyrrolidin-3-yl]-3-phenylpropan-2-one is Cc1ccccc1C(=O)N1CCc2cc(-c3ccnc(NC(=O)Cc4ccccc4)n3)ccc21.Cc1ccccc1C(=O)N1CCc2cc(-c3cncc(NC(=O)Cc4ccccc4)n3)ccc21.Cc1ccccc1C(=O)N1CCc2cc(-n3cc(CC(=O)Cc4ccccc4)cn3)ccc21.Cc1ccccc1C(=O)N1CCc2cc(N3CCC(CC(=O)Cc4ccccc4)C3)ccc21.Cc1ccccc1C(=O)N1CCc2cc(N3CCCC(CC(=O)Cc4ccccc4)C3)ccc21.
What is the InChIKey of 1-[1-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]piperidin-3-yl]-3-phenylpropan-2-one;N-[6-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]pyrazin-2-yl]-2-phenylacetamide;1-[1-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]pyrazol-4-yl]-3-phenylpropan-2-one;N-[4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]pyrimidin-2-yl]-2-phenylacetamide;1-[1-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]pyrrolidin-3-yl]-3-phenylpropan-2-one?
The InChIKey is ACAIPNZGMHKVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2O2.C29H30N2O2.2C28H24N4O2.C28H25N3O2/c1-22-8-5-6-12-28(22)30(34)32-17-15-25-20-26(13-14-29(25)32)31-16-7-11-24(21-31)19-27(33)18-23-9-3-2-4-10-23;1-21-7-5-6-10-27(21)29(33)31-16-14-24-19-25(11-12-28(24)31)30-15-13-23(20-30)18-26(32)17-22-8-3-2-4-9-22;1-19-7-5-6-10-23(19)27(34)32-16-14-22-18-21(11-12-25(22)32)24-13-15-29-28(30-24)31-26(33)17-20-8-3-2-4-9-20;1-19-7-5-6-10-23(19)28(34)32-14-13-22-16-21(11-12-25(22)32)24-17-29-18-26(30-24)31-27(33)15-20-8-3-2-4-9-20;1-20-7-5-6-10-26(20)28(33)30-14-13-23-17-24(11-12-27(23)30)31-19-22(18-29-31)16-25(32)15-21-8-3-2-4-9-21/h2-6,8-10,12-14,20,24H,7,11,15-19,21H2,1H3;2-12,19,23H,13-18,20H2,1H3;2-13,15,18H,14,16-17H2,1H3,(H,29,30,31,33);2-12,16-18H,13-15H2,1H3,(H,30,31,33);2-12,17-19H,13-16H2,1H3.
What are the key properties of 1-[1-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]piperidin-3-yl]-3-phenylpropan-2-one;N-[6-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]pyrazin-2-yl]-2-phenylacetamide;1-[1-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]pyrazol-4-yl]-3-phenylpropan-2-one;N-[4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]pyrimidin-2-yl]-2-phenylacetamide;1-[1-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]pyrrolidin-3-yl]-3-phenylpropan-2-one?
1-[1-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]piperidin-3-yl]-3-phenylpropan-2-one;N-[6-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]pyrazin-2-yl]-2-phenylacetamide;1-[1-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]pyrazol-4-yl]-3-phenylpropan-2-one;N-[4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]pyrimidin-2-yl]-2-phenylacetamide;1-[1-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]pyrrolidin-3-yl]-3-phenylpropan-2-one has a molecular weight of 2223.75 g/mol, XLogP of 25.25, 28 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]piperidin-3-yl]-3-phenylpropan-2-one;N-[6-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]pyrazin-2-yl]-2-phenylacetamide;1-[1-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]pyrazol-4-yl]-3-phenylpropan-2-one;N-[4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]pyrimidin-2-yl]-2-phenylacetamide;1-[1-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]pyrrolidin-3-yl]-3-phenylpropan-2-one is sourced from PubChem (CID 157067298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).