4-cyclopropylsulfonyl-1-[4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]phenyl]butan-1-one;4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-N-(3-methylsulfonylcyclobutyl)benzamide;4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzamide

C97H100F3N13O11S2 — CID 157294610

IUPAC4-cyclopropylsulfonyl-1-[4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]phenyl]butan-1-one;4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-N-(3-methylsulfonylcyclobutyl)benzamide;4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzamide
SMILESCOCC(C)(C)c1c(-c2ccc(C(=O)CCCS(=O)(=O)C3CC3)cc2)c2cc3[nH]ncc3cc2n1-c1ccc(F)cc1.COCC(C)(C)c1c(-c2ccc(C(=O)NC3CC(S(C)(=O)=O)C3)cc2)c2cc3[nH]ncc3cc2n1-c1ccc(F)cc1.COCC(C)(C)c1c(-c2ccc(C(=O)NCCN3CCNC3=O)cc2)c2cc3[nH]ncc3cc2n1-c1ccc(F)cc1
InChIInChI=1S/C33H34FN3O4S.C32H33FN6O3.C32H33FN4O4S/c1-33(2,20-41-3)32-31(22-8-6-21(7-9-22)30(38)5-4-16-42(39,40)26-14-15-26)27-18-28-23(19-35-36-28)17-29(27)37(32)25-12-10-24(34)11-13-25;1-32(2,19-42-3)29-28(20-4-6-21(7-5-20)30(40)34-12-14-38-15-13-35-31(38)41)25-17-26-22(18-36-37-26)16-27(25)39(29)24-10-8-23(33)9-11-24;1-32(2,18-41-3)30-29(19-5-7-20(8-6-19)31(38)35-23-14-25(15-23)42(4,39)40)26-16-27-21(17-34-36-27)13-28(26)37(30)24-11-9-22(33)10-12-24/h6-13,17-19,26H,4-5,14-16,20H2,1-3H3,(H,35,36);4-11,16-18H,12-15,19H2,1-3H3,(H,34,40)(H,35,41)(H,36,37);5-13,16-17,23,25H,14-15,18H2,1-4H3,(H,34,36)(H,35,38)
InChIKeyBBEXRAUYDVTICT-UHFFFAOYSA-N
MW1745.07 g/mol
LogP17.31
Rot. Bonds28

About 4-cyclopropylsulfonyl-1-[4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]phenyl]butan-1-one;4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-N-(3-methylsulfonylcyclobutyl)benzamide;4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzamide

4-cyclopropylsulfonyl-1-[4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]phenyl]butan-1-one;4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-N-(3-methylsulfonylcyclobutyl)benzamide;4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzamide (PubChem CID 157294610) has the molecular formula C97H100F3N13O11S2 and a molecular weight of 1745.07 g/mol. Its IUPAC name is 4-cyclopropylsulfonyl-1-[4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]phenyl]butan-1-one;4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-N-(3-methylsulfonylcyclobutyl)benzamide;4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-cyclopropylsulfonyl-1-[4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]phenyl]butan-1-one;4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-N-(3-methylsulfonylcyclobutyl)benzamide;4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzamide
PubChem CID157294610
Molecular FormulaC97H100F3N13O11S2
Molecular Weight1745.07 g/mol
Exact Mass1743.71
IUPAC Name4-cyclopropylsulfonyl-1-[4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]phenyl]butan-1-one;4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-N-(3-methylsulfonylcyclobutyl)benzamide;4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzamide
SMILESCOCC(C)(C)c1c(-c2ccc(C(=O)CCCS(=O)(=O)C3CC3)cc2)c2cc3[nH]ncc3cc2n1-c1ccc(F)cc1.COCC(C)(C)c1c(-c2ccc(C(=O)NC3CC(S(C)(=O)=O)C3)cc2)c2cc3[nH]ncc3cc2n1-c1ccc(F)cc1.COCC(C)(C)c1c(-c2ccc(C(=O)NCCN3CCNC3=O)cc2)c2cc3[nH]ncc3cc2n1-c1ccc(F)cc1
InChIInChI=1S/C33H34FN3O4S.C32H33FN6O3.C32H33FN4O4S/c1-33(2,20-41-3)32-31(22-8-6-21(7-9-22)30(38)5-4-16-42(39,40)26-14-15-26)27-18-28-23(19-35-36-28)17-29(27)37(32)25-12-10-24(34)11-13-25;1-32(2,19-42-3)29-28(20-4-6-21(7-5-20)30(40)34-12-14-38-15-13-35-31(38)41)25-17-26-22(18-36-37-26)16-27(25)39(29)24-10-8-23(33)9-11-24;1-32(2,18-41-3)30-29(19-5-7-20(8-6-19)31(38)35-23-14-25(15-23)42(4,39)40)26-16-27-21(17-34-36-27)13-28(26)37(30)24-11-9-22(33)10-12-24/h6-13,17-19,26H,4-5,14-16,20H2,1-3H3,(H,35,36);4-11,16-18H,12-15,19H2,1-3H3,(H,34,40)(H,35,41)(H,36,37);5-13,16-17,23,25H,14-15,18H2,1-4H3,(H,34,36)(H,35,38)
InChIKeyBBEXRAUYDVTICT-UHFFFAOYSA-N
XLogP17.31
TPSA304.41 Ų
H-Bond Donors6
H-Bond Acceptors17
Rotatable Bonds28
Heavy Atoms126
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001745.07
LogP ≤ 517.31
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1017

Analyze 4-cyclopropylsulfonyl-1-[4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]phenyl]butan-1-one;4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-N-(3-methylsulfonylcyclobutyl)benzamide;4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzamide with MolForge

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Related Compounds

4-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-N-(3-methylsulfonylcyclobutyl)benzamide
CID 155285020
N-(2-cyclopropylsulfonylethyl)-4-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]benzamide
CID 155285087
4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-N-(2-methylsulfonylethyl)benzamide
CID 155317827
4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-N-(3-methylsulfonylcyclobutyl)benzamide
CID 155317828
[4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]phenyl]-(3-methylsulfonylpyrrolidin-1-yl)methanone
CID 155317955
[4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]phenyl]-(3-methylsulfonylazetidin-1-yl)methanone
CID 155317982
N-(2-cyclopropylsulfonylethyl)-4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]benzamide
CID 155317985
4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzamide
CID 155318034
4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-N-[(1R,3S)-3-methylsulfonyl-1-bicyclo[2.1.0]pentanyl]benzamide
CID 155318036
4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-N-(3-methylsulfonylpropyl)benzamide
CID 155318188
4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-N-methyl-N-(2-methylsulfonylethyl)benzamide
CID 155318314
[4-[5-(4-fluorocyclohexa-1,3-dien-1-yl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]phenyl]-(3-methylsulfonylpyrrolidin-1-yl)methanone
CID 155734504

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropylsulfonyl-1-[4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]phenyl]butan-1-one;4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-N-(3-methylsulfonylcyclobutyl)benzamide;4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzamide?
The IUPAC name of 4-cyclopropylsulfonyl-1-[4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]phenyl]butan-1-one;4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-N-(3-methylsulfonylcyclobutyl)benzamide;4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzamide (CID 157294610) is 4-cyclopropylsulfonyl-1-[4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]phenyl]butan-1-one;4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-N-(3-methylsulfonylcyclobutyl)benzamide;4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzamide.
What is the SMILES notation for 4-cyclopropylsulfonyl-1-[4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]phenyl]butan-1-one;4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-N-(3-methylsulfonylcyclobutyl)benzamide;4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzamide?
The canonical SMILES for 4-cyclopropylsulfonyl-1-[4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]phenyl]butan-1-one;4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-N-(3-methylsulfonylcyclobutyl)benzamide;4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzamide is COCC(C)(C)c1c(-c2ccc(C(=O)CCCS(=O)(=O)C3CC3)cc2)c2cc3[nH]ncc3cc2n1-c1ccc(F)cc1.COCC(C)(C)c1c(-c2ccc(C(=O)NC3CC(S(C)(=O)=O)C3)cc2)c2cc3[nH]ncc3cc2n1-c1ccc(F)cc1.COCC(C)(C)c1c(-c2ccc(C(=O)NCCN3CCNC3=O)cc2)c2cc3[nH]ncc3cc2n1-c1ccc(F)cc1.
What is the InChIKey of 4-cyclopropylsulfonyl-1-[4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]phenyl]butan-1-one;4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-N-(3-methylsulfonylcyclobutyl)benzamide;4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzamide?
The InChIKey is BBEXRAUYDVTICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34FN3O4S.C32H33FN6O3.C32H33FN4O4S/c1-33(2,20-41-3)32-31(22-8-6-21(7-9-22)30(38)5-4-16-42(39,40)26-14-15-26)27-18-28-23(19-35-36-28)17-29(27)37(32)25-12-10-24(34)11-13-25;1-32(2,19-42-3)29-28(20-4-6-21(7-5-20)30(40)34-12-14-38-15-13-35-31(38)41)25-17-26-22(18-36-37-26)16-27(25)39(29)24-10-8-23(33)9-11-24;1-32(2,18-41-3)30-29(19-5-7-20(8-6-19)31(38)35-23-14-25(15-23)42(4,39)40)26-16-27-21(17-34-36-27)13-28(26)37(30)24-11-9-22(33)10-12-24/h6-13,17-19,26H,4-5,14-16,20H2,1-3H3,(H,35,36);4-11,16-18H,12-15,19H2,1-3H3,(H,34,40)(H,35,41)(H,36,37);5-13,16-17,23,25H,14-15,18H2,1-4H3,(H,34,36)(H,35,38).
What are the key properties of 4-cyclopropylsulfonyl-1-[4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]phenyl]butan-1-one;4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-N-(3-methylsulfonylcyclobutyl)benzamide;4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzamide?
4-cyclopropylsulfonyl-1-[4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]phenyl]butan-1-one;4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-N-(3-methylsulfonylcyclobutyl)benzamide;4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzamide has a molecular weight of 1745.07 g/mol, XLogP of 17.31, 28 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropylsulfonyl-1-[4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]phenyl]butan-1-one;4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-N-(3-methylsulfonylcyclobutyl)benzamide;4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzamide is sourced from PubChem (CID 157294610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).