N-[4-[2-fluoro-4-[[3-pyridin-4-yl-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide

C28H21F4N5O3 — CID 118233993

IUPACN-[4-[2-fluoro-4-[[3-pyridin-4-yl-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide
SMILESO=C(Nc1cc(-c2ccncc2)cc(C(F)(F)F)c1)Nc1ccc(Oc2ccnc(NC(=O)C3CC3)c2)c(F)c1
InChIInChI=1S/C28H21F4N5O3/c29-23-14-20(3-4-24(23)40-22-7-10-34-25(15-22)37-26(38)17-1-2-17)35-27(39)36-21-12-18(16-5-8-33-9-6-16)11-19(13-21)28(30,31)32/h3-15,17H,1-2H2,(H,34,37,38)(H2,35,36,39)
InChIKeySZUKWCISGROJRA-UHFFFAOYSA-N
MW551.50 g/mol
LogP7.09
Rot. Bonds7

About N-[4-[2-fluoro-4-[[3-pyridin-4-yl-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide

N-[4-[2-fluoro-4-[[3-pyridin-4-yl-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 118233993) has the molecular formula C28H21F4N5O3 and a molecular weight of 551.50 g/mol. Its IUPAC name is N-[4-[2-fluoro-4-[[3-pyridin-4-yl-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[2-fluoro-4-[[3-pyridin-4-yl-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide
PubChem CID118233993
Molecular FormulaC28H21F4N5O3
Molecular Weight551.50 g/mol
Exact Mass551.16
IUPAC NameN-[4-[2-fluoro-4-[[3-pyridin-4-yl-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide
SMILESO=C(Nc1cc(-c2ccncc2)cc(C(F)(F)F)c1)Nc1ccc(Oc2ccnc(NC(=O)C3CC3)c2)c(F)c1
InChIInChI=1S/C28H21F4N5O3/c29-23-14-20(3-4-24(23)40-22-7-10-34-25(15-22)37-26(38)17-1-2-17)35-27(39)36-21-12-18(16-5-8-33-9-6-16)11-19(13-21)28(30,31)32/h3-15,17H,1-2H2,(H,34,37,38)(H2,35,36,39)
InChIKeySZUKWCISGROJRA-UHFFFAOYSA-N
XLogP7.09
TPSA105.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.50
LogP ≤ 57.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[4-[2-fluoro-4-[[3-pyridin-4-yl-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-2-pyridinyl]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-[4-[2-fluoro-4-[[3-pyridin-4-yl-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[2-fluoro-4-[[3-pyridin-4-yl-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide (CID 118233993) is N-[4-[2-fluoro-4-[[3-pyridin-4-yl-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[2-fluoro-4-[[3-pyridin-4-yl-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[2-fluoro-4-[[3-pyridin-4-yl-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide is O=C(Nc1cc(-c2ccncc2)cc(C(F)(F)F)c1)Nc1ccc(Oc2ccnc(NC(=O)C3CC3)c2)c(F)c1.
What is the InChIKey of N-[4-[2-fluoro-4-[[3-pyridin-4-yl-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide?
The InChIKey is SZUKWCISGROJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21F4N5O3/c29-23-14-20(3-4-24(23)40-22-7-10-34-25(15-22)37-26(38)17-1-2-17)35-27(39)36-21-12-18(16-5-8-33-9-6-16)11-19(13-21)28(30,31)32/h3-15,17H,1-2H2,(H,34,37,38)(H2,35,36,39).
What are the key properties of N-[4-[2-fluoro-4-[[3-pyridin-4-yl-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide?
N-[4-[2-fluoro-4-[[3-pyridin-4-yl-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 551.50 g/mol, XLogP of 7.09, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-fluoro-4-[[3-pyridin-4-yl-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 118233993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).