5-(4-fluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide

C22H18F4N4O3 — CID 118195293

IUPAC5-(4-fluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2cnccc2F)c1
InChIInChI=1S/C22H18F4N4O3/c23-19-5-7-27-11-18(19)17-9-13(10-28-20(17)30-8-6-15(31)12-30)21(32)29-14-1-3-16(4-2-14)33-22(24,25)26/h1-5,7,9-11,15,31H,6,8,12H2,(H,29,32)/t15-/m1/s1
InChIKeySFANPJNDWICQOM-OAHLLOKOSA-N
MW462.40 g/mol
LogP4.00
Rot. Bonds5

About 5-(4-fluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide

5-(4-fluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (PubChem CID 118195293) has the molecular formula C22H18F4N4O3 and a molecular weight of 462.40 g/mol. Its IUPAC name is 5-(4-fluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-fluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
PubChem CID118195293
Molecular FormulaC22H18F4N4O3
Molecular Weight462.40 g/mol
Exact Mass462.13
IUPAC Name5-(4-fluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2cnccc2F)c1
InChIInChI=1S/C22H18F4N4O3/c23-19-5-7-27-11-18(19)17-9-13(10-28-20(17)30-8-6-15(31)12-30)21(32)29-14-1-3-16(4-2-14)33-22(24,25)26/h1-5,7,9-11,15,31H,6,8,12H2,(H,29,32)/t15-/m1/s1
InChIKeySFANPJNDWICQOM-OAHLLOKOSA-N
XLogP4.00
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.40
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-(4-fluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-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 5-(4-fluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The IUPAC name of 5-(4-fluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (CID 118195293) is 5-(4-fluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-fluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(4-fluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2cnccc2F)c1.
What is the InChIKey of 5-(4-fluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The InChIKey is SFANPJNDWICQOM-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H18F4N4O3/c23-19-5-7-27-11-18(19)17-9-13(10-28-20(17)30-8-6-15(31)12-30)21(32)29-14-1-3-16(4-2-14)33-22(24,25)26/h1-5,7,9-11,15,31H,6,8,12H2,(H,29,32)/t15-/m1/s1.
What are the key properties of 5-(4-fluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
5-(4-fluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide has a molecular weight of 462.40 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 118195293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).