2-[4-[1-[5-[(2,2-difluorocyclopropyl)methoxy]-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]-N-(1-hydroxypropan-2-yl)propanamide

C25H31F2N3O4 — CID 123785613

IUPAC2-[4-[1-[5-[(2,2-difluorocyclopropyl)methoxy]-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]-N-(1-hydroxypropan-2-yl)propanamide
SMILESCC(CO)NC(=O)C(C)c1ccc(OC2CCN(c3ccc(OCC4CC4(F)F)cn3)C2)cc1
InChIInChI=1S/C25H31F2N3O4/c1-16(14-31)29-24(32)17(2)18-3-5-20(6-4-18)34-22-9-10-30(13-22)23-8-7-21(12-28-23)33-15-19-11-25(19,26)27/h3-8,12,16-17,19,22,31H,9-11,13-15H2,1-2H3,(H,29,32)
InChIKeyIJUHNOYWEOAMLO-UHFFFAOYSA-N
MW475.54 g/mol
LogP3.37
Rot. Bonds10

About 2-[4-[1-[5-[(2,2-difluorocyclopropyl)methoxy]-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]-N-(1-hydroxypropan-2-yl)propanamide

2-[4-[1-[5-[(2,2-difluorocyclopropyl)methoxy]-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]-N-(1-hydroxypropan-2-yl)propanamide (PubChem CID 123785613) has the molecular formula C25H31F2N3O4 and a molecular weight of 475.54 g/mol. Its IUPAC name is 2-[4-[1-[5-[(2,2-difluorocyclopropyl)methoxy]-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]-N-(1-hydroxypropan-2-yl)propanamide.

Molecular Properties

Compound Name2-[4-[1-[5-[(2,2-difluorocyclopropyl)methoxy]-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]-N-(1-hydroxypropan-2-yl)propanamide
PubChem CID123785613
Molecular FormulaC25H31F2N3O4
Molecular Weight475.54 g/mol
Exact Mass475.23
IUPAC Name2-[4-[1-[5-[(2,2-difluorocyclopropyl)methoxy]-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]-N-(1-hydroxypropan-2-yl)propanamide
SMILESCC(CO)NC(=O)C(C)c1ccc(OC2CCN(c3ccc(OCC4CC4(F)F)cn3)C2)cc1
InChIInChI=1S/C25H31F2N3O4/c1-16(14-31)29-24(32)17(2)18-3-5-20(6-4-18)34-22-9-10-30(13-22)23-8-7-21(12-28-23)33-15-19-11-25(19,26)27/h3-8,12,16-17,19,22,31H,9-11,13-15H2,1-2H3,(H,29,32)
InChIKeyIJUHNOYWEOAMLO-UHFFFAOYSA-N
XLogP3.37
TPSA83.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.54
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-[1-[5-[(2,2-difluorocyclopropyl)methoxy]-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]-N-(1-hydroxypropan-2-yl)propanamide 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 2-[4-[1-[5-[(2,2-difluorocyclopropyl)methoxy]-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]-N-(1-hydroxypropan-2-yl)propanamide?
The IUPAC name of 2-[4-[1-[5-[(2,2-difluorocyclopropyl)methoxy]-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]-N-(1-hydroxypropan-2-yl)propanamide (CID 123785613) is 2-[4-[1-[5-[(2,2-difluorocyclopropyl)methoxy]-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]-N-(1-hydroxypropan-2-yl)propanamide.
What is the SMILES notation for 2-[4-[1-[5-[(2,2-difluorocyclopropyl)methoxy]-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]-N-(1-hydroxypropan-2-yl)propanamide?
The canonical SMILES for 2-[4-[1-[5-[(2,2-difluorocyclopropyl)methoxy]-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]-N-(1-hydroxypropan-2-yl)propanamide is CC(CO)NC(=O)C(C)c1ccc(OC2CCN(c3ccc(OCC4CC4(F)F)cn3)C2)cc1.
What is the InChIKey of 2-[4-[1-[5-[(2,2-difluorocyclopropyl)methoxy]-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]-N-(1-hydroxypropan-2-yl)propanamide?
The InChIKey is IJUHNOYWEOAMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31F2N3O4/c1-16(14-31)29-24(32)17(2)18-3-5-20(6-4-18)34-22-9-10-30(13-22)23-8-7-21(12-28-23)33-15-19-11-25(19,26)27/h3-8,12,16-17,19,22,31H,9-11,13-15H2,1-2H3,(H,29,32).
What are the key properties of 2-[4-[1-[5-[(2,2-difluorocyclopropyl)methoxy]-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]-N-(1-hydroxypropan-2-yl)propanamide?
2-[4-[1-[5-[(2,2-difluorocyclopropyl)methoxy]-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]-N-(1-hydroxypropan-2-yl)propanamide has a molecular weight of 475.54 g/mol, XLogP of 3.37, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-[5-[(2,2-difluorocyclopropyl)methoxy]-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]-N-(1-hydroxypropan-2-yl)propanamide is sourced from PubChem (CID 123785613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).