2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indazol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-cyclopropylacetamide;2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indol-1-yl]acetic acid;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indol-1-yl]acetate;1-[3-(2-chlorophenyl)-2-fluorophenyl]-3-(cyclopropylamino)propan-2-one;cyclopentanone

C107H112BrCl2F2N11O17 — CID 162196949

IUPAC2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indazol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-cyclopropylacetamide;2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indol-1-yl]acetic acid;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indol-1-yl]acetate;1-[3-(2-chlorophenyl)-2-fluorophenyl]-3-(cyclopropylamino)propan-2-one;cyclopentanone
SMILESCC(=O)c1cn(CC(=O)O)c2ccc(N3CCCC3=O)cc12.CC(=O)c1cn(CC(=O)OC(C)(C)C)c2ccc(Br)cc12.CC(=O)c1cn(CC(=O)OC(C)(C)C)c2ccc(N3CCCC3=O)cc12.CC(=O)c1nn(CC(=O)N(CC(=O)Nc2cccc(-c3ccccc3Cl)c2F)C2CC2)c2ccc(N3CCCC3=O)cc12.O=C(CNC1CC1)Cc1cccc(-c2ccccc2Cl)c1F.O=C1CCCC1
InChIInChI=1S/C32H29ClFN5O4.C20H24N2O4.C18H17ClFNO.C16H18BrNO3.C16H16N2O4.C5H8O/c1-19(40)32-24-16-21(37-15-5-10-29(37)42)13-14-27(24)39(36-32)18-30(43)38(20-11-12-20)17-28(41)35-26-9-4-7-23(31(26)34)22-6-2-3-8-25(22)33;1-13(23)16-11-21(12-19(25)26-20(2,3)4)17-8-7-14(10-15(16)17)22-9-5-6-18(22)24;19-17-7-2-1-5-15(17)16-6-3-4-12(18(16)20)10-14(22)11-21-13-8-9-13;1-10(19)13-8-18(9-15(20)21-16(2,3)4)14-6-5-11(17)7-12(13)14;1-10(19)13-8-17(9-16(21)22)14-5-4-11(7-12(13)14)18-6-2-3-15(18)20;6-5-3-1-2-4-5/h2-4,6-9,13-14,16,20H,5,10-12,15,17-18H2,1H3,(H,35,41);7-8,10-11H,5-6,9,12H2,1-4H3;1-7,13,21H,8-11H2;5-8H,9H2,1-4H3;4-5,7-8H,2-3,6,9H2,1H3,(H,21,22);1-4H2
InChIKeyZRBKKIHDIFYVPZ-UHFFFAOYSA-N
MW2012.94 g/mol
LogP19.91
Rot. Bonds26

About 2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indazol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-cyclopropylacetamide;2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indol-1-yl]acetic acid;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indol-1-yl]acetate;1-[3-(2-chlorophenyl)-2-fluorophenyl]-3-(cyclopropylamino)propan-2-one;cyclopentanone

2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indazol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-cyclopropylacetamide;2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indol-1-yl]acetic acid;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indol-1-yl]acetate;1-[3-(2-chlorophenyl)-2-fluorophenyl]-3-(cyclopropylamino)propan-2-one;cyclopentanone (PubChem CID 162196949) has the molecular formula C107H112BrCl2F2N11O17 and a molecular weight of 2012.94 g/mol. Its IUPAC name is 2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indazol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-cyclopropylacetamide;2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indol-1-yl]acetic acid;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indol-1-yl]acetate;1-[3-(2-chlorophenyl)-2-fluorophenyl]-3-(cyclopropylamino)propan-2-one;cyclopentanone.

Molecular Properties

Compound Name2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indazol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-cyclopropylacetamide;2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indol-1-yl]acetic acid;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indol-1-yl]acetate;1-[3-(2-chlorophenyl)-2-fluorophenyl]-3-(cyclopropylamino)propan-2-one;cyclopentanone
PubChem CID162196949
Molecular FormulaC107H112BrCl2F2N11O17
Molecular Weight2012.94 g/mol
Exact Mass2009.68
IUPAC Name2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indazol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-cyclopropylacetamide;2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indol-1-yl]acetic acid;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indol-1-yl]acetate;1-[3-(2-chlorophenyl)-2-fluorophenyl]-3-(cyclopropylamino)propan-2-one;cyclopentanone
SMILESCC(=O)c1cn(CC(=O)O)c2ccc(N3CCCC3=O)cc12.CC(=O)c1cn(CC(=O)OC(C)(C)C)c2ccc(Br)cc12.CC(=O)c1cn(CC(=O)OC(C)(C)C)c2ccc(N3CCCC3=O)cc12.CC(=O)c1nn(CC(=O)N(CC(=O)Nc2cccc(-c3ccccc3Cl)c2F)C2CC2)c2ccc(N3CCCC3=O)cc12.O=C(CNC1CC1)Cc1cccc(-c2ccccc2Cl)c1F.O=C1CCCC1
InChIInChI=1S/C32H29ClFN5O4.C20H24N2O4.C18H17ClFNO.C16H18BrNO3.C16H16N2O4.C5H8O/c1-19(40)32-24-16-21(37-15-5-10-29(37)42)13-14-27(24)39(36-32)18-30(43)38(20-11-12-20)17-28(41)35-26-9-4-7-23(31(26)34)22-6-2-3-8-25(22)33;1-13(23)16-11-21(12-19(25)26-20(2,3)4)17-8-7-14(10-15(16)17)22-9-5-6-18(22)24;19-17-7-2-1-5-15(17)16-6-3-4-12(18(16)20)10-14(22)11-21-13-8-9-13;1-10(19)13-8-18(9-15(20)21-16(2,3)4)14-6-5-11(17)7-12(13)14;1-10(19)13-8-17(9-16(21)22)14-5-4-11(7-12(13)14)18-6-2-3-15(18)20;6-5-3-1-2-4-5/h2-4,6-9,13-14,16,20H,5,10-12,15,17-18H2,1H3,(H,35,41);7-8,10-11H,5-6,9,12H2,1-4H3;1-7,13,21H,8-11H2;5-8H,9H2,1-4H3;4-5,7-8H,2-3,6,9H2,1H3,(H,21,22);1-4H2
InChIKeyZRBKKIHDIFYVPZ-UHFFFAOYSA-N
XLogP19.91
TPSA347.30 Ų
H-Bond Donors3
H-Bond Acceptors22
Rotatable Bonds26
Heavy Atoms140
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002012.94
LogP ≤ 519.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1022

Analyze 2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indazol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-cyclopropylacetamide;2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indol-1-yl]acetic acid;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indol-1-yl]acetate;1-[3-(2-chlorophenyl)-2-fluorophenyl]-3-(cyclopropylamino)propan-2-one;cyclopentanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indazol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-cyclopropylacetamide;2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indol-1-yl]acetic acid;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indol-1-yl]acetate;1-[3-(2-chlorophenyl)-2-fluorophenyl]-3-(cyclopropylamino)propan-2-one;cyclopentanone?
The IUPAC name of 2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indazol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-cyclopropylacetamide;2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indol-1-yl]acetic acid;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indol-1-yl]acetate;1-[3-(2-chlorophenyl)-2-fluorophenyl]-3-(cyclopropylamino)propan-2-one;cyclopentanone (CID 162196949) is 2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indazol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-cyclopropylacetamide;2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indol-1-yl]acetic acid;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indol-1-yl]acetate;1-[3-(2-chlorophenyl)-2-fluorophenyl]-3-(cyclopropylamino)propan-2-one;cyclopentanone.
What is the SMILES notation for 2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indazol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-cyclopropylacetamide;2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indol-1-yl]acetic acid;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indol-1-yl]acetate;1-[3-(2-chlorophenyl)-2-fluorophenyl]-3-(cyclopropylamino)propan-2-one;cyclopentanone?
The canonical SMILES for 2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indazol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-cyclopropylacetamide;2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indol-1-yl]acetic acid;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indol-1-yl]acetate;1-[3-(2-chlorophenyl)-2-fluorophenyl]-3-(cyclopropylamino)propan-2-one;cyclopentanone is CC(=O)c1cn(CC(=O)O)c2ccc(N3CCCC3=O)cc12.CC(=O)c1cn(CC(=O)OC(C)(C)C)c2ccc(Br)cc12.CC(=O)c1cn(CC(=O)OC(C)(C)C)c2ccc(N3CCCC3=O)cc12.CC(=O)c1nn(CC(=O)N(CC(=O)Nc2cccc(-c3ccccc3Cl)c2F)C2CC2)c2ccc(N3CCCC3=O)cc12.O=C(CNC1CC1)Cc1cccc(-c2ccccc2Cl)c1F.O=C1CCCC1.
What is the InChIKey of 2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indazol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-cyclopropylacetamide;2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indol-1-yl]acetic acid;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indol-1-yl]acetate;1-[3-(2-chlorophenyl)-2-fluorophenyl]-3-(cyclopropylamino)propan-2-one;cyclopentanone?
The InChIKey is ZRBKKIHDIFYVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29ClFN5O4.C20H24N2O4.C18H17ClFNO.C16H18BrNO3.C16H16N2O4.C5H8O/c1-19(40)32-24-16-21(37-15-5-10-29(37)42)13-14-27(24)39(36-32)18-30(43)38(20-11-12-20)17-28(41)35-26-9-4-7-23(31(26)34)22-6-2-3-8-25(22)33;1-13(23)16-11-21(12-19(25)26-20(2,3)4)17-8-7-14(10-15(16)17)22-9-5-6-18(22)24;19-17-7-2-1-5-15(17)16-6-3-4-12(18(16)20)10-14(22)11-21-13-8-9-13;1-10(19)13-8-18(9-15(20)21-16(2,3)4)14-6-5-11(17)7-12(13)14;1-10(19)13-8-17(9-16(21)22)14-5-4-11(7-12(13)14)18-6-2-3-15(18)20;6-5-3-1-2-4-5/h2-4,6-9,13-14,16,20H,5,10-12,15,17-18H2,1H3,(H,35,41);7-8,10-11H,5-6,9,12H2,1-4H3;1-7,13,21H,8-11H2;5-8H,9H2,1-4H3;4-5,7-8H,2-3,6,9H2,1H3,(H,21,22);1-4H2.
What are the key properties of 2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indazol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-cyclopropylacetamide;2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indol-1-yl]acetic acid;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indol-1-yl]acetate;1-[3-(2-chlorophenyl)-2-fluorophenyl]-3-(cyclopropylamino)propan-2-one;cyclopentanone?
2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indazol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-cyclopropylacetamide;2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indol-1-yl]acetic acid;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indol-1-yl]acetate;1-[3-(2-chlorophenyl)-2-fluorophenyl]-3-(cyclopropylamino)propan-2-one;cyclopentanone has a molecular weight of 2012.94 g/mol, XLogP of 19.91, 26 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indazol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-cyclopropylacetamide;2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indol-1-yl]acetic acid;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indol-1-yl]acetate;1-[3-(2-chlorophenyl)-2-fluorophenyl]-3-(cyclopropylamino)propan-2-one;cyclopentanone is sourced from PubChem (CID 162196949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).