N-[(2R,3R)-4,4-difluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide;N-[(2R,3R,4S)-4-fluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide;N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide

C81H66F6N12O6 — CID 160879904

IUPACN-[(2R,3R)-4,4-difluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide;N-[(2R,3R,4S)-4-fluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide;N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide
SMILESO=C(N[C@@H]1[C@@H](c2ccccc2)N(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C(=O)C1(F)F)C1CC1.O=C(N[C@H]1CC(=O)N(c2ccc3c(cnn3-c3ccc(F)cc3)c2)[C@@H]1c1ccccc1)C1CC1.O=C(N[C@H]1[C@H](F)C(=O)N(c2ccc3c(cnn3-c3ccc(F)cc3)c2)[C@@H]1c1ccccc1)C1CC1
InChIInChI=1S/C27H21F3N4O2.C27H22F2N4O2.C27H23FN4O2/c28-19-8-10-20(11-9-19)34-22-13-12-21(14-18(22)15-31-34)33-23(16-4-2-1-3-5-16)24(27(29,30)26(33)36)32-25(35)17-6-7-17;28-19-8-10-20(11-9-19)33-22-13-12-21(14-18(22)15-30-33)32-25(16-4-2-1-3-5-16)24(23(29)27(32)35)31-26(34)17-6-7-17;28-20-8-10-21(11-9-20)32-24-13-12-22(14-19(24)16-29-32)31-25(33)15-23(30-27(34)18-6-7-18)26(31)17-4-2-1-3-5-17/h1-5,8-15,17,23-24H,6-7H2,(H,32,35);1-5,8-15,17,23-25H,6-7H2,(H,31,34);1-5,8-14,16,18,23,26H,6-7,15H2,(H,30,34)/t23-,24-;23-,24-,25+;23-,26+/m100/s1
InChIKeySMWXBNCVCRWWNB-CJSKLPBXSA-N
MW1417.48 g/mol
LogP13.81
Rot. Bonds15

About N-[(2R,3R)-4,4-difluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide;N-[(2R,3R,4S)-4-fluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide;N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide

N-[(2R,3R)-4,4-difluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide;N-[(2R,3R,4S)-4-fluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide;N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide (PubChem CID 160879904) has the molecular formula C81H66F6N12O6 and a molecular weight of 1417.48 g/mol. Its IUPAC name is N-[(2R,3R)-4,4-difluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide;N-[(2R,3R,4S)-4-fluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide;N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(2R,3R)-4,4-difluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide;N-[(2R,3R,4S)-4-fluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide;N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide
PubChem CID160879904
Molecular FormulaC81H66F6N12O6
Molecular Weight1417.48 g/mol
Exact Mass1416.51
IUPAC NameN-[(2R,3R)-4,4-difluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide;N-[(2R,3R,4S)-4-fluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide;N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide
SMILESO=C(N[C@@H]1[C@@H](c2ccccc2)N(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C(=O)C1(F)F)C1CC1.O=C(N[C@H]1CC(=O)N(c2ccc3c(cnn3-c3ccc(F)cc3)c2)[C@@H]1c1ccccc1)C1CC1.O=C(N[C@H]1[C@H](F)C(=O)N(c2ccc3c(cnn3-c3ccc(F)cc3)c2)[C@@H]1c1ccccc1)C1CC1
InChIInChI=1S/C27H21F3N4O2.C27H22F2N4O2.C27H23FN4O2/c28-19-8-10-20(11-9-19)34-22-13-12-21(14-18(22)15-31-34)33-23(16-4-2-1-3-5-16)24(27(29,30)26(33)36)32-25(35)17-6-7-17;28-19-8-10-20(11-9-19)33-22-13-12-21(14-18(22)15-30-33)32-25(16-4-2-1-3-5-16)24(23(29)27(32)35)31-26(34)17-6-7-17;28-20-8-10-21(11-9-20)32-24-13-12-22(14-19(24)16-29-32)31-25(33)15-23(30-27(34)18-6-7-18)26(31)17-4-2-1-3-5-17/h1-5,8-15,17,23-24H,6-7H2,(H,32,35);1-5,8-15,17,23-25H,6-7H2,(H,31,34);1-5,8-14,16,18,23,26H,6-7,15H2,(H,30,34)/t23-,24-;23-,24-,25+;23-,26+/m100/s1
InChIKeySMWXBNCVCRWWNB-CJSKLPBXSA-N
XLogP13.81
TPSA201.69 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms105
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001417.48
LogP ≤ 513.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze N-[(2R,3R)-4,4-difluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide;N-[(2R,3R,4S)-4-fluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide;N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide with MolForge

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Related Compounds

US12358907, Example 129
CID 154598005
US12358907, Example 137
CID 154598013
US12358907, Example 148
CID 154598015
US12358907, Example 46
CID 154598021
US12358907, Example 2
CID 154598032
US12358907, Example 95
CID 154598044
US12358907, Example 77
CID 154598066
US12358907, Example 134
CID 154598084
US12358907, Example 3
CID 154598100
US12358907, Example 101
CID 154598110
US12358907, Example 63
CID 154598142
US12358907, Example 135
CID 154598150

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R)-4,4-difluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide;N-[(2R,3R,4S)-4-fluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide;N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[(2R,3R)-4,4-difluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide;N-[(2R,3R,4S)-4-fluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide;N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide (CID 160879904) is N-[(2R,3R)-4,4-difluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide;N-[(2R,3R,4S)-4-fluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide;N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(2R,3R)-4,4-difluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide;N-[(2R,3R,4S)-4-fluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide;N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[(2R,3R)-4,4-difluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide;N-[(2R,3R,4S)-4-fluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide;N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide is O=C(N[C@@H]1[C@@H](c2ccccc2)N(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C(=O)C1(F)F)C1CC1.O=C(N[C@H]1CC(=O)N(c2ccc3c(cnn3-c3ccc(F)cc3)c2)[C@@H]1c1ccccc1)C1CC1.O=C(N[C@H]1[C@H](F)C(=O)N(c2ccc3c(cnn3-c3ccc(F)cc3)c2)[C@@H]1c1ccccc1)C1CC1.
What is the InChIKey of N-[(2R,3R)-4,4-difluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide;N-[(2R,3R,4S)-4-fluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide;N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide?
The InChIKey is SMWXBNCVCRWWNB-CJSKLPBXSA-N. The full InChI is InChI=1S/C27H21F3N4O2.C27H22F2N4O2.C27H23FN4O2/c28-19-8-10-20(11-9-19)34-22-13-12-21(14-18(22)15-31-34)33-23(16-4-2-1-3-5-16)24(27(29,30)26(33)36)32-25(35)17-6-7-17;28-19-8-10-20(11-9-19)33-22-13-12-21(14-18(22)15-30-33)32-25(16-4-2-1-3-5-16)24(23(29)27(32)35)31-26(34)17-6-7-17;28-20-8-10-21(11-9-20)32-24-13-12-22(14-19(24)16-29-32)31-25(33)15-23(30-27(34)18-6-7-18)26(31)17-4-2-1-3-5-17/h1-5,8-15,17,23-24H,6-7H2,(H,32,35);1-5,8-15,17,23-25H,6-7H2,(H,31,34);1-5,8-14,16,18,23,26H,6-7,15H2,(H,30,34)/t23-,24-;23-,24-,25+;23-,26+/m100/s1.
What are the key properties of N-[(2R,3R)-4,4-difluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide;N-[(2R,3R,4S)-4-fluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide;N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide?
N-[(2R,3R)-4,4-difluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide;N-[(2R,3R,4S)-4-fluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide;N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide has a molecular weight of 1417.48 g/mol, XLogP of 13.81, 15 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R)-4,4-difluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide;N-[(2R,3R,4S)-4-fluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide;N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 160879904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).