N-[4-[2-fluoro-4-[[3-(1H-pyrazol-4-yl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide

C26H20F4N6O3 — CID 118233909

IUPACN-[4-[2-fluoro-4-[[3-(1H-pyrazol-4-yl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide
SMILESO=C(Nc1cc(-c2cn[nH]c2)cc(C(F)(F)F)c1)Nc1ccc(Oc2ccnc(NC(=O)C3CC3)c2)c(F)c1
InChIInChI=1S/C26H20F4N6O3/c27-21-10-18(3-4-22(21)39-20-5-6-31-23(11-20)36-24(37)14-1-2-14)34-25(38)35-19-8-15(16-12-32-33-13-16)7-17(9-19)26(28,29)30/h3-14H,1-2H2,(H,32,33)(H,31,36,37)(H2,34,35,38)
InChIKeyCDIWWCRTVDTPRU-UHFFFAOYSA-N
MW540.48 g/mol
LogP6.41
Rot. Bonds7

About N-[4-[2-fluoro-4-[[3-(1H-pyrazol-4-yl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide

N-[4-[2-fluoro-4-[[3-(1H-pyrazol-4-yl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 118233909) has the molecular formula C26H20F4N6O3 and a molecular weight of 540.48 g/mol. Its IUPAC name is N-[4-[2-fluoro-4-[[3-(1H-pyrazol-4-yl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[2-fluoro-4-[[3-(1H-pyrazol-4-yl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide
PubChem CID118233909
Molecular FormulaC26H20F4N6O3
Molecular Weight540.48 g/mol
Exact Mass540.15
IUPAC NameN-[4-[2-fluoro-4-[[3-(1H-pyrazol-4-yl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide
SMILESO=C(Nc1cc(-c2cn[nH]c2)cc(C(F)(F)F)c1)Nc1ccc(Oc2ccnc(NC(=O)C3CC3)c2)c(F)c1
InChIInChI=1S/C26H20F4N6O3/c27-21-10-18(3-4-22(21)39-20-5-6-31-23(11-20)36-24(37)14-1-2-14)34-25(38)35-19-8-15(16-12-32-33-13-16)7-17(9-19)26(28,29)30/h3-14H,1-2H2,(H,32,33)(H,31,36,37)(H2,34,35,38)
InChIKeyCDIWWCRTVDTPRU-UHFFFAOYSA-N
XLogP6.41
TPSA121.03 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.48
LogP ≤ 56.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N-[4-[2-fluoro-4-[[3-(1H-pyrazol-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-(1H-pyrazol-4-yl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[2-fluoro-4-[[3-(1H-pyrazol-4-yl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide (CID 118233909) is N-[4-[2-fluoro-4-[[3-(1H-pyrazol-4-yl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[2-fluoro-4-[[3-(1H-pyrazol-4-yl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[2-fluoro-4-[[3-(1H-pyrazol-4-yl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide is O=C(Nc1cc(-c2cn[nH]c2)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-(1H-pyrazol-4-yl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide?
The InChIKey is CDIWWCRTVDTPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F4N6O3/c27-21-10-18(3-4-22(21)39-20-5-6-31-23(11-20)36-24(37)14-1-2-14)34-25(38)35-19-8-15(16-12-32-33-13-16)7-17(9-19)26(28,29)30/h3-14H,1-2H2,(H,32,33)(H,31,36,37)(H2,34,35,38).
What are the key properties of N-[4-[2-fluoro-4-[[3-(1H-pyrazol-4-yl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide?
N-[4-[2-fluoro-4-[[3-(1H-pyrazol-4-yl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 540.48 g/mol, XLogP of 6.41, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-fluoro-4-[[3-(1H-pyrazol-4-yl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 118233909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).