6-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-[3-(2-methyl-1H-imidazol-5-yl)-5-(trifluoromethyl)phenyl]naphthalene-1-carboxamide

C31H24F3N5O3 — CID 59314436

IUPAC6-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-[3-(2-methyl-1H-imidazol-5-yl)-5-(trifluoromethyl)phenyl]naphthalene-1-carboxamide
SMILESCc1ncc(-c2cc(NC(=O)c3cccc4cc(Oc5ccnc(NC(=O)C6CC6)c5)ccc34)cc(C(F)(F)F)c2)[nH]1
InChIInChI=1S/C31H24F3N5O3/c1-17-36-16-27(37-17)20-11-21(31(32,33)34)14-22(12-20)38-30(41)26-4-2-3-19-13-23(7-8-25(19)26)42-24-9-10-35-28(15-24)39-29(40)18-5-6-18/h2-4,7-16,18H,5-6H2,1H3,(H,36,37)(H,38,41)(H,35,39,40)
InChIKeyLFBDVPDAUGENGX-UHFFFAOYSA-N
MW571.56 g/mol
LogP7.35
Rot. Bonds7

About 6-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-[3-(2-methyl-1H-imidazol-5-yl)-5-(trifluoromethyl)phenyl]naphthalene-1-carboxamide

6-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-[3-(2-methyl-1H-imidazol-5-yl)-5-(trifluoromethyl)phenyl]naphthalene-1-carboxamide (PubChem CID 59314436) has the molecular formula C31H24F3N5O3 and a molecular weight of 571.56 g/mol. Its IUPAC name is 6-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-[3-(2-methyl-1H-imidazol-5-yl)-5-(trifluoromethyl)phenyl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name6-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-[3-(2-methyl-1H-imidazol-5-yl)-5-(trifluoromethyl)phenyl]naphthalene-1-carboxamide
PubChem CID59314436
Molecular FormulaC31H24F3N5O3
Molecular Weight571.56 g/mol
Exact Mass571.18
IUPAC Name6-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-[3-(2-methyl-1H-imidazol-5-yl)-5-(trifluoromethyl)phenyl]naphthalene-1-carboxamide
SMILESCc1ncc(-c2cc(NC(=O)c3cccc4cc(Oc5ccnc(NC(=O)C6CC6)c5)ccc34)cc(C(F)(F)F)c2)[nH]1
InChIInChI=1S/C31H24F3N5O3/c1-17-36-16-27(37-17)20-11-21(31(32,33)34)14-22(12-20)38-30(41)26-4-2-3-19-13-23(7-8-25(19)26)42-24-9-10-35-28(15-24)39-29(40)18-5-6-18/h2-4,7-16,18H,5-6H2,1H3,(H,36,37)(H,38,41)(H,35,39,40)
InChIKeyLFBDVPDAUGENGX-UHFFFAOYSA-N
XLogP7.35
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.56
LogP ≤ 57.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-[3-(2-methyl-1H-imidazol-5-yl)-5-(trifluoromethyl)phenyl]naphthalene-1-carboxamide?
The IUPAC name of 6-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-[3-(2-methyl-1H-imidazol-5-yl)-5-(trifluoromethyl)phenyl]naphthalene-1-carboxamide (CID 59314436) is 6-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-[3-(2-methyl-1H-imidazol-5-yl)-5-(trifluoromethyl)phenyl]naphthalene-1-carboxamide.
What is the SMILES notation for 6-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-[3-(2-methyl-1H-imidazol-5-yl)-5-(trifluoromethyl)phenyl]naphthalene-1-carboxamide?
The canonical SMILES for 6-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-[3-(2-methyl-1H-imidazol-5-yl)-5-(trifluoromethyl)phenyl]naphthalene-1-carboxamide is Cc1ncc(-c2cc(NC(=O)c3cccc4cc(Oc5ccnc(NC(=O)C6CC6)c5)ccc34)cc(C(F)(F)F)c2)[nH]1.
What is the InChIKey of 6-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-[3-(2-methyl-1H-imidazol-5-yl)-5-(trifluoromethyl)phenyl]naphthalene-1-carboxamide?
The InChIKey is LFBDVPDAUGENGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24F3N5O3/c1-17-36-16-27(37-17)20-11-21(31(32,33)34)14-22(12-20)38-30(41)26-4-2-3-19-13-23(7-8-25(19)26)42-24-9-10-35-28(15-24)39-29(40)18-5-6-18/h2-4,7-16,18H,5-6H2,1H3,(H,36,37)(H,38,41)(H,35,39,40).
What are the key properties of 6-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-[3-(2-methyl-1H-imidazol-5-yl)-5-(trifluoromethyl)phenyl]naphthalene-1-carboxamide?
6-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-[3-(2-methyl-1H-imidazol-5-yl)-5-(trifluoromethyl)phenyl]naphthalene-1-carboxamide has a molecular weight of 571.56 g/mol, XLogP of 7.35, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-[3-(2-methyl-1H-imidazol-5-yl)-5-(trifluoromethyl)phenyl]naphthalene-1-carboxamide is sourced from PubChem (CID 59314436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).