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

C27H25FN4O2 — CID 154993998

IUPACN-[(3S)-1-[1-(4-fluorophenyl)-2,3-dihydroindazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide
SMILESO=C(N[C@H]1CC(=O)N(c2ccc3c(c2)CNN3c2ccc(F)cc2)C1c1ccccc1)C1CC1
InChIInChI=1S/C27H25FN4O2/c28-20-8-10-21(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/h1-5,8-14,18,23,26,29H,6-7,15-16H2,(H,30,34)/t23-,26?/m0/s1
InChIKeyLOXMHUCMZADGDS-ZZHFZYNASA-N
MW456.52 g/mol
LogP4.35
Rot. Bonds5

About N-[(3S)-1-[1-(4-fluorophenyl)-2,3-dihydroindazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide

N-[(3S)-1-[1-(4-fluorophenyl)-2,3-dihydroindazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide (PubChem CID 154993998) has the molecular formula C27H25FN4O2 and a molecular weight of 456.52 g/mol. Its IUPAC name is N-[(3S)-1-[1-(4-fluorophenyl)-2,3-dihydroindazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(3S)-1-[1-(4-fluorophenyl)-2,3-dihydroindazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide
PubChem CID154993998
Molecular FormulaC27H25FN4O2
Molecular Weight456.52 g/mol
Exact Mass456.20
IUPAC NameN-[(3S)-1-[1-(4-fluorophenyl)-2,3-dihydroindazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide
SMILESO=C(N[C@H]1CC(=O)N(c2ccc3c(c2)CNN3c2ccc(F)cc2)C1c1ccccc1)C1CC1
InChIInChI=1S/C27H25FN4O2/c28-20-8-10-21(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/h1-5,8-14,18,23,26,29H,6-7,15-16H2,(H,30,34)/t23-,26?/m0/s1
InChIKeyLOXMHUCMZADGDS-ZZHFZYNASA-N
XLogP4.35
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.52
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(3S)-1-[1-(4-fluorophenyl)-2,3-dihydroindazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[1-(4-fluorophenyl)-2,3-dihydroindazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[(3S)-1-[1-(4-fluorophenyl)-2,3-dihydroindazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide (CID 154993998) is N-[(3S)-1-[1-(4-fluorophenyl)-2,3-dihydroindazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(3S)-1-[1-(4-fluorophenyl)-2,3-dihydroindazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[(3S)-1-[1-(4-fluorophenyl)-2,3-dihydroindazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide is O=C(N[C@H]1CC(=O)N(c2ccc3c(c2)CNN3c2ccc(F)cc2)C1c1ccccc1)C1CC1.
What is the InChIKey of N-[(3S)-1-[1-(4-fluorophenyl)-2,3-dihydroindazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide?
The InChIKey is LOXMHUCMZADGDS-ZZHFZYNASA-N. The full InChI is InChI=1S/C27H25FN4O2/c28-20-8-10-21(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/h1-5,8-14,18,23,26,29H,6-7,15-16H2,(H,30,34)/t23-,26?/m0/s1.
What are the key properties of N-[(3S)-1-[1-(4-fluorophenyl)-2,3-dihydroindazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide?
N-[(3S)-1-[1-(4-fluorophenyl)-2,3-dihydroindazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide has a molecular weight of 456.52 g/mol, XLogP of 4.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[1-(4-fluorophenyl)-2,3-dihydroindazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 154993998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).