6-[(2-amino-4-pyridinyl)oxy]-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]naphthalene-1-carboxamide

C27H20F3N5O2 — CID 25158205

IUPAC6-[(2-amino-4-pyridinyl)oxy]-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]naphthalene-1-carboxamide
SMILESCc1cn(-c2cc(NC(=O)c3cccc4cc(Oc5ccnc(N)c5)ccc34)cc(C(F)(F)F)c2)cn1
InChIInChI=1S/C27H20F3N5O2/c1-16-14-35(15-33-16)20-11-18(27(28,29)30)10-19(12-20)34-26(36)24-4-2-3-17-9-21(5-6-23(17)24)37-22-7-8-32-25(31)13-22/h2-15H,1H3,(H2,31,32)(H,34,36)
InChIKeyZDVZYSDKOBTZJU-UHFFFAOYSA-N
MW503.48 g/mol
LogP6.37
Rot. Bonds5

About 6-[(2-amino-4-pyridinyl)oxy]-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]naphthalene-1-carboxamide

6-[(2-amino-4-pyridinyl)oxy]-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]naphthalene-1-carboxamide (PubChem CID 25158205) has the molecular formula C27H20F3N5O2 and a molecular weight of 503.48 g/mol. Its IUPAC name is 6-[(2-amino-4-pyridinyl)oxy]-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name6-[(2-amino-4-pyridinyl)oxy]-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]naphthalene-1-carboxamide
PubChem CID25158205
Molecular FormulaC27H20F3N5O2
Molecular Weight503.48 g/mol
Exact Mass503.16
IUPAC Name6-[(2-amino-4-pyridinyl)oxy]-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]naphthalene-1-carboxamide
SMILESCc1cn(-c2cc(NC(=O)c3cccc4cc(Oc5ccnc(N)c5)ccc34)cc(C(F)(F)F)c2)cn1
InChIInChI=1S/C27H20F3N5O2/c1-16-14-35(15-33-16)20-11-18(27(28,29)30)10-19(12-20)34-26(36)24-4-2-3-17-9-21(5-6-23(17)24)37-22-7-8-32-25(31)13-22/h2-15H,1H3,(H2,31,32)(H,34,36)
InChIKeyZDVZYSDKOBTZJU-UHFFFAOYSA-N
XLogP6.37
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.48
LogP ≤ 56.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[(2-amino-4-pyridinyl)oxy]-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]naphthalene-1-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 6-[(2-amino-4-pyridinyl)oxy]-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]naphthalene-1-carboxamide?
The IUPAC name of 6-[(2-amino-4-pyridinyl)oxy]-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]naphthalene-1-carboxamide (CID 25158205) is 6-[(2-amino-4-pyridinyl)oxy]-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]naphthalene-1-carboxamide.
What is the SMILES notation for 6-[(2-amino-4-pyridinyl)oxy]-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]naphthalene-1-carboxamide?
The canonical SMILES for 6-[(2-amino-4-pyridinyl)oxy]-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]naphthalene-1-carboxamide is Cc1cn(-c2cc(NC(=O)c3cccc4cc(Oc5ccnc(N)c5)ccc34)cc(C(F)(F)F)c2)cn1.
What is the InChIKey of 6-[(2-amino-4-pyridinyl)oxy]-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]naphthalene-1-carboxamide?
The InChIKey is ZDVZYSDKOBTZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20F3N5O2/c1-16-14-35(15-33-16)20-11-18(27(28,29)30)10-19(12-20)34-26(36)24-4-2-3-17-9-21(5-6-23(17)24)37-22-7-8-32-25(31)13-22/h2-15H,1H3,(H2,31,32)(H,34,36).
What are the key properties of 6-[(2-amino-4-pyridinyl)oxy]-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]naphthalene-1-carboxamide?
6-[(2-amino-4-pyridinyl)oxy]-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]naphthalene-1-carboxamide has a molecular weight of 503.48 g/mol, XLogP of 6.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-amino-4-pyridinyl)oxy]-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]naphthalene-1-carboxamide is sourced from PubChem (CID 25158205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).