N-[(2S,3R)-2-(2-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]cyclopropanecarboxamide

C27H22F2N4O2 — CID 138684599

IUPACN-[(2S,3R)-2-(2-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]cyclopropanecarboxamide
SMILESO=C(N[C@@H]1CC(=O)N(c2ccc3c(cnn3-c3ccc(F)cc3)c2)[C@H]1c1ccccc1F)C1CC1
InChIInChI=1S/C27H22F2N4O2/c28-18-7-9-19(10-8-18)33-24-12-11-20(13-17(24)15-30-33)32-25(34)14-23(31-27(35)16-5-6-16)26(32)21-3-1-2-4-22(21)29/h1-4,7-13,15-16,23,26H,5-6,14H2,(H,31,35)/t23-,26+/m1/s1
InChIKeyOKAGESVBWDEBMB-BVAGGSTKSA-N
MW472.50 g/mol
LogP4.68
Rot. Bonds5

About N-[(2S,3R)-2-(2-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]cyclopropanecarboxamide

N-[(2S,3R)-2-(2-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]cyclopropanecarboxamide (PubChem CID 138684599) has the molecular formula C27H22F2N4O2 and a molecular weight of 472.50 g/mol. Its IUPAC name is N-[(2S,3R)-2-(2-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(2S,3R)-2-(2-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]cyclopropanecarboxamide
PubChem CID138684599
Molecular FormulaC27H22F2N4O2
Molecular Weight472.50 g/mol
Exact Mass472.17
IUPAC NameN-[(2S,3R)-2-(2-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]cyclopropanecarboxamide
SMILESO=C(N[C@@H]1CC(=O)N(c2ccc3c(cnn3-c3ccc(F)cc3)c2)[C@H]1c1ccccc1F)C1CC1
InChIInChI=1S/C27H22F2N4O2/c28-18-7-9-19(10-8-18)33-24-12-11-20(13-17(24)15-30-33)32-25(34)14-23(31-27(35)16-5-6-16)26(32)21-3-1-2-4-22(21)29/h1-4,7-13,15-16,23,26H,5-6,14H2,(H,31,35)/t23-,26+/m1/s1
InChIKeyOKAGESVBWDEBMB-BVAGGSTKSA-N
XLogP4.68
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.50
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R,3S)-2-(3-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]cyclobutanecarboxamide
CID 138684899
N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]pyrimidine-2-carboxamide
CID 138684895
(4S,5R)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-(methylamino)-5-phenylpyrrolidin-2-one
CID 170105272
N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide
CID 154598160
N-[(3S)-2-(3,5-difluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]-2,2-difluoropropanamide
CID 152859429
N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-5,5-dimethyl-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide
CID 156742102
ethane;N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide;molecular hydrogen
CID 154641896
2,2-difluoro-N-[(2S,3R)-2-(2-fluorophenyl)-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-2-(2-fluorophenyl)-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-2-(2-fluorophenyl)-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoropropanoic acid;5-(5-iodoindazol-1-yl)-1-methylpyridin-2-one;methanamine
CID 162016726
N-[(3S)-2-(4-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]cyclopropanesulfonamide
CID 138725429
N-[(2S,3S)-2-cyclopropyl-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]-2,2-difluoropropanamide
CID 138684522
N-[(4S)-4-(2,2-difluoroethyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide
CID 167017749
N-[(2R,3S)-2-ethyl-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]-2,2-difluoropropanamide
CID 138684660

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R)-2-(2-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[(2S,3R)-2-(2-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]cyclopropanecarboxamide (CID 138684599) is N-[(2S,3R)-2-(2-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(2S,3R)-2-(2-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[(2S,3R)-2-(2-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]cyclopropanecarboxamide is O=C(N[C@@H]1CC(=O)N(c2ccc3c(cnn3-c3ccc(F)cc3)c2)[C@H]1c1ccccc1F)C1CC1.
What is the InChIKey of N-[(2S,3R)-2-(2-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]cyclopropanecarboxamide?
The InChIKey is OKAGESVBWDEBMB-BVAGGSTKSA-N. The full InChI is InChI=1S/C27H22F2N4O2/c28-18-7-9-19(10-8-18)33-24-12-11-20(13-17(24)15-30-33)32-25(34)14-23(31-27(35)16-5-6-16)26(32)21-3-1-2-4-22(21)29/h1-4,7-13,15-16,23,26H,5-6,14H2,(H,31,35)/t23-,26+/m1/s1.
What are the key properties of N-[(2S,3R)-2-(2-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]cyclopropanecarboxamide?
N-[(2S,3R)-2-(2-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]cyclopropanecarboxamide has a molecular weight of 472.50 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R)-2-(2-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 138684599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).