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

C32H29FN6O2 — CID 154598309

IUPACN-[(2R,3S,4S)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-[(1-methylpyrazol-4-yl)methyl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide
SMILESCn1cc(C[C@@H]2C(=O)N(c3ccc4c(cnn4-c4ccc(F)cc4)c3)[C@H](c3ccccc3)[C@H]2NC(=O)C2CC2)cn1
InChIInChI=1S/C32H29FN6O2/c1-37-19-20(17-34-37)15-27-29(36-31(40)22-7-8-22)30(21-5-3-2-4-6-21)38(32(27)41)26-13-14-28-23(16-26)18-35-39(28)25-11-9-24(33)10-12-25/h2-6,9-14,16-19,22,27,29-30H,7-8,15H2,1H3,(H,36,40)/t27-,29-,30+/m0/s1
InChIKeyWPWUPJHSQHGHDD-LOAGWBBBSA-N
MW548.62 g/mol
LogP4.74
Rot. Bonds7

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

N-[(2R,3S,4S)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-[(1-methylpyrazol-4-yl)methyl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide (PubChem CID 154598309) has the molecular formula C32H29FN6O2 and a molecular weight of 548.62 g/mol. Its IUPAC name is N-[(2R,3S,4S)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-[(1-methylpyrazol-4-yl)methyl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(2R,3S,4S)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-[(1-methylpyrazol-4-yl)methyl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide
PubChem CID154598309
Molecular FormulaC32H29FN6O2
Molecular Weight548.62 g/mol
Exact Mass548.23
IUPAC NameN-[(2R,3S,4S)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-[(1-methylpyrazol-4-yl)methyl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide
SMILESCn1cc(C[C@@H]2C(=O)N(c3ccc4c(cnn4-c4ccc(F)cc4)c3)[C@H](c3ccccc3)[C@H]2NC(=O)C2CC2)cn1
InChIInChI=1S/C32H29FN6O2/c1-37-19-20(17-34-37)15-27-29(36-31(40)22-7-8-22)30(21-5-3-2-4-6-21)38(32(27)41)26-13-14-28-23(16-26)18-35-39(28)25-11-9-24(33)10-12-25/h2-6,9-14,16-19,22,27,29-30H,7-8,15H2,1H3,(H,36,40)/t27-,29-,30+/m0/s1
InChIKeyWPWUPJHSQHGHDD-LOAGWBBBSA-N
XLogP4.74
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.62
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2R,3S,4S)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-[(1-methylpyrazol-4-yl)methyl]-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-[(2R,3S,4S)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-[(1-methylpyrazol-4-yl)methyl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[(2R,3S,4S)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-[(1-methylpyrazol-4-yl)methyl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide (CID 154598309) is N-[(2R,3S,4S)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-[(1-methylpyrazol-4-yl)methyl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(2R,3S,4S)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-[(1-methylpyrazol-4-yl)methyl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[(2R,3S,4S)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-[(1-methylpyrazol-4-yl)methyl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide is Cn1cc(C[C@@H]2C(=O)N(c3ccc4c(cnn4-c4ccc(F)cc4)c3)[C@H](c3ccccc3)[C@H]2NC(=O)C2CC2)cn1.
What is the InChIKey of N-[(2R,3S,4S)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-[(1-methylpyrazol-4-yl)methyl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide?
The InChIKey is WPWUPJHSQHGHDD-LOAGWBBBSA-N. The full InChI is InChI=1S/C32H29FN6O2/c1-37-19-20(17-34-37)15-27-29(36-31(40)22-7-8-22)30(21-5-3-2-4-6-21)38(32(27)41)26-13-14-28-23(16-26)18-35-39(28)25-11-9-24(33)10-12-25/h2-6,9-14,16-19,22,27,29-30H,7-8,15H2,1H3,(H,36,40)/t27-,29-,30+/m0/s1.
What are the key properties of N-[(2R,3S,4S)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-[(1-methylpyrazol-4-yl)methyl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide?
N-[(2R,3S,4S)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-[(1-methylpyrazol-4-yl)methyl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide has a molecular weight of 548.62 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S,4S)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-[(1-methylpyrazol-4-yl)methyl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 154598309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).