(3S)-N-[4-[(3R)-3-(4-fluorobenzoyl)pyrrolidin-3-yl]oxyphenyl]-N-pyridazin-3-ylpyrrolidine-3-carboxamide

C26H26FN5O3 — CID 90012437

IUPAC(3S)-N-[4-[(3R)-3-(4-fluorobenzoyl)pyrrolidin-3-yl]oxyphenyl]-N-pyridazin-3-ylpyrrolidine-3-carboxamide
SMILESO=C([C@H]1CCNC1)N(c1ccc(O[C@]2(C(=O)c3ccc(F)cc3)CCNC2)cc1)c1cccnn1
InChIInChI=1S/C26H26FN5O3/c27-20-5-3-18(4-6-20)24(33)26(12-15-29-17-26)35-22-9-7-21(8-10-22)32(23-2-1-13-30-31-23)25(34)19-11-14-28-16-19/h1-10,13,19,28-29H,11-12,14-17H2/t19-,26+/m0/s1
InChIKeySXTGYDLOQCRDMQ-AFMDSPMNSA-N
MW475.52 g/mol
LogP2.88
Rot. Bonds7

About (3S)-N-[4-[(3R)-3-(4-fluorobenzoyl)pyrrolidin-3-yl]oxyphenyl]-N-pyridazin-3-ylpyrrolidine-3-carboxamide

(3S)-N-[4-[(3R)-3-(4-fluorobenzoyl)pyrrolidin-3-yl]oxyphenyl]-N-pyridazin-3-ylpyrrolidine-3-carboxamide (PubChem CID 90012437) has the molecular formula C26H26FN5O3 and a molecular weight of 475.52 g/mol. Its IUPAC name is (3S)-N-[4-[(3R)-3-(4-fluorobenzoyl)pyrrolidin-3-yl]oxyphenyl]-N-pyridazin-3-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[4-[(3R)-3-(4-fluorobenzoyl)pyrrolidin-3-yl]oxyphenyl]-N-pyridazin-3-ylpyrrolidine-3-carboxamide
PubChem CID90012437
Molecular FormulaC26H26FN5O3
Molecular Weight475.52 g/mol
Exact Mass475.20
IUPAC Name(3S)-N-[4-[(3R)-3-(4-fluorobenzoyl)pyrrolidin-3-yl]oxyphenyl]-N-pyridazin-3-ylpyrrolidine-3-carboxamide
SMILESO=C([C@H]1CCNC1)N(c1ccc(O[C@]2(C(=O)c3ccc(F)cc3)CCNC2)cc1)c1cccnn1
InChIInChI=1S/C26H26FN5O3/c27-20-5-3-18(4-6-20)24(33)26(12-15-29-17-26)35-22-9-7-21(8-10-22)32(23-2-1-13-30-31-23)25(34)19-11-14-28-16-19/h1-10,13,19,28-29H,11-12,14-17H2/t19-,26+/m0/s1
InChIKeySXTGYDLOQCRDMQ-AFMDSPMNSA-N
XLogP2.88
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.52
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (3S)-N-[4-[(3R)-3-(4-fluorobenzoyl)pyrrolidin-3-yl]oxyphenyl]-N-pyridazin-3-ylpyrrolidine-3-carboxamide 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 (3S)-N-[4-[(3R)-3-(4-fluorobenzoyl)pyrrolidin-3-yl]oxyphenyl]-N-pyridazin-3-ylpyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[4-[(3R)-3-(4-fluorobenzoyl)pyrrolidin-3-yl]oxyphenyl]-N-pyridazin-3-ylpyrrolidine-3-carboxamide (CID 90012437) is (3S)-N-[4-[(3R)-3-(4-fluorobenzoyl)pyrrolidin-3-yl]oxyphenyl]-N-pyridazin-3-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[4-[(3R)-3-(4-fluorobenzoyl)pyrrolidin-3-yl]oxyphenyl]-N-pyridazin-3-ylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[4-[(3R)-3-(4-fluorobenzoyl)pyrrolidin-3-yl]oxyphenyl]-N-pyridazin-3-ylpyrrolidine-3-carboxamide is O=C([C@H]1CCNC1)N(c1ccc(O[C@]2(C(=O)c3ccc(F)cc3)CCNC2)cc1)c1cccnn1.
What is the InChIKey of (3S)-N-[4-[(3R)-3-(4-fluorobenzoyl)pyrrolidin-3-yl]oxyphenyl]-N-pyridazin-3-ylpyrrolidine-3-carboxamide?
The InChIKey is SXTGYDLOQCRDMQ-AFMDSPMNSA-N. The full InChI is InChI=1S/C26H26FN5O3/c27-20-5-3-18(4-6-20)24(33)26(12-15-29-17-26)35-22-9-7-21(8-10-22)32(23-2-1-13-30-31-23)25(34)19-11-14-28-16-19/h1-10,13,19,28-29H,11-12,14-17H2/t19-,26+/m0/s1.
What are the key properties of (3S)-N-[4-[(3R)-3-(4-fluorobenzoyl)pyrrolidin-3-yl]oxyphenyl]-N-pyridazin-3-ylpyrrolidine-3-carboxamide?
(3S)-N-[4-[(3R)-3-(4-fluorobenzoyl)pyrrolidin-3-yl]oxyphenyl]-N-pyridazin-3-ylpyrrolidine-3-carboxamide has a molecular weight of 475.52 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[4-[(3R)-3-(4-fluorobenzoyl)pyrrolidin-3-yl]oxyphenyl]-N-pyridazin-3-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 90012437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).