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

C27H22F2N4O2 — CID 154598044

IUPACN-[(2R,3R,4S)-4-fluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide
SMILESO=C(N[C@H]1[C@H](F)C(=O)N(c2ccc3c(cnn3-c3ccc(F)cc3)c2)[C@@H]1c1ccccc1)C1CC1
InChIInChI=1S/C27H22F2N4O2/c28-19-8-10-20(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/h1-5,8-15,17,23-25H,6-7H2,(H,31,34)/t23-,24-,25+/m0/s1
InChIKeyDJNRNQBHXSUPFE-CCDWMCETSA-N
MW472.50 g/mol
LogP4.49
Rot. Bonds5

About N-[(2R,3R,4S)-4-fluoro-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 (PubChem CID 154598044) has the molecular formula C27H22F2N4O2 and a molecular weight of 472.50 g/mol. Its IUPAC name is N-[(2R,3R,4S)-4-fluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(2R,3R,4S)-4-fluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide
PubChem CID154598044
Molecular FormulaC27H22F2N4O2
Molecular Weight472.50 g/mol
Exact Mass472.17
IUPAC NameN-[(2R,3R,4S)-4-fluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide
SMILESO=C(N[C@H]1[C@H](F)C(=O)N(c2ccc3c(cnn3-c3ccc(F)cc3)c2)[C@@H]1c1ccccc1)C1CC1
InChIInChI=1S/C27H22F2N4O2/c28-19-8-10-20(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/h1-5,8-15,17,23-25H,6-7H2,(H,31,34)/t23-,24-,25+/m0/s1
InChIKeyDJNRNQBHXSUPFE-CCDWMCETSA-N
XLogP4.49
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 ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R,4S)-4-fluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[(2R,3R,4S)-4-fluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide (CID 154598044) is N-[(2R,3R,4S)-4-fluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(2R,3R,4S)-4-fluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[(2R,3R,4S)-4-fluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide is 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,4S)-4-fluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide?
The InChIKey is DJNRNQBHXSUPFE-CCDWMCETSA-N. The full InChI is InChI=1S/C27H22F2N4O2/c28-19-8-10-20(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/h1-5,8-15,17,23-25H,6-7H2,(H,31,34)/t23-,24-,25+/m0/s1.
What are the key properties of N-[(2R,3R,4S)-4-fluoro-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 has a molecular weight of 472.50 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R,4S)-4-fluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 154598044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).