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

C38H30F3N5O3 — CID 59314441

IUPACN-[3-(3-benzyl-2-methylimidazol-4-yl)-5-(trifluoromethyl)phenyl]-6-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]naphthalene-1-carboxamide
SMILESCc1ncc(-c2cc(NC(=O)c3cccc4cc(Oc5ccnc(NC(=O)C6CC6)c5)ccc34)cc(C(F)(F)F)c2)n1Cc1ccccc1
InChIInChI=1S/C38H30F3N5O3/c1-23-43-21-34(46(23)22-24-6-3-2-4-7-24)27-16-28(38(39,40)41)19-29(17-27)44-37(48)33-9-5-8-26-18-30(12-13-32(26)33)49-31-14-15-42-35(20-31)45-36(47)25-10-11-25/h2-9,12-21,25H,10-11,22H2,1H3,(H,44,48)(H,42,45,47)
InChIKeyOHLKKCWAMBKKHR-UHFFFAOYSA-N
MW661.68 g/mol
LogP8.87
Rot. Bonds9

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

N-[3-(3-benzyl-2-methylimidazol-4-yl)-5-(trifluoromethyl)phenyl]-6-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]naphthalene-1-carboxamide (PubChem CID 59314441) has the molecular formula C38H30F3N5O3 and a molecular weight of 661.68 g/mol. Its IUPAC name is N-[3-(3-benzyl-2-methylimidazol-4-yl)-5-(trifluoromethyl)phenyl]-6-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[3-(3-benzyl-2-methylimidazol-4-yl)-5-(trifluoromethyl)phenyl]-6-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]naphthalene-1-carboxamide
PubChem CID59314441
Molecular FormulaC38H30F3N5O3
Molecular Weight661.68 g/mol
Exact Mass661.23
IUPAC NameN-[3-(3-benzyl-2-methylimidazol-4-yl)-5-(trifluoromethyl)phenyl]-6-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]naphthalene-1-carboxamide
SMILESCc1ncc(-c2cc(NC(=O)c3cccc4cc(Oc5ccnc(NC(=O)C6CC6)c5)ccc34)cc(C(F)(F)F)c2)n1Cc1ccccc1
InChIInChI=1S/C38H30F3N5O3/c1-23-43-21-34(46(23)22-24-6-3-2-4-7-24)27-16-28(38(39,40)41)19-29(17-27)44-37(48)33-9-5-8-26-18-30(12-13-32(26)33)49-31-14-15-42-35(20-31)45-36(47)25-10-11-25/h2-9,12-21,25H,10-11,22H2,1H3,(H,44,48)(H,42,45,47)
InChIKeyOHLKKCWAMBKKHR-UHFFFAOYSA-N
XLogP8.87
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.68
LogP ≤ 58.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-[3-(2-methyl-1H-imidazol-5-yl)-5-(trifluoromethyl)phenyl]naphthalene-1-carboxamide
CID 59314436
tert-butyl 2-[[4-[5-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]carbamoyl]naphthalen-2-yl]oxy-2-pyridinyl]carbamoyl]pyrrolidine-1-carboxylate
CID 68590472
N-[4-[5-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]carbamoyl]naphthalen-2-yl]oxy-2-pyridinyl]-1H-imidazole-2-carboxamide
CID 25157601
7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 66721701
6-(6-acetamidopyrimidin-4-yl)oxy-N-[4-(4-benzylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide
CID 23652645
(2S)-N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 51355181
tert-butyl-[[3-[[7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carbonyl]amino]-5-(trifluoromethyl)phenyl]methyl]carbamic acid
CID 66721327
7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-[3-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-5-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 66721195
N-[4-[4-[[3-(3,3-difluoroazetidin-1-yl)-5-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]-2-pyridinyl]cyclopropanecarboxamide
CID 118233816
(2S)-7-[(2-acetamido-4-pyridinyl)oxy]-N-[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 66721576
N-[4-[4-[3-[3-fluoro-5-(trifluoromethyl)phenyl]-2-oxopropyl]-3-methylphenoxy]-2-pyridinyl]cyclopropanecarboxamide
CID 158668032
6-(3-fluoro-7-methoxyquinolin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide;methoxymethane
CID 143083690

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-benzyl-2-methylimidazol-4-yl)-5-(trifluoromethyl)phenyl]-6-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]naphthalene-1-carboxamide?
The IUPAC name of N-[3-(3-benzyl-2-methylimidazol-4-yl)-5-(trifluoromethyl)phenyl]-6-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]naphthalene-1-carboxamide (CID 59314441) is N-[3-(3-benzyl-2-methylimidazol-4-yl)-5-(trifluoromethyl)phenyl]-6-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]naphthalene-1-carboxamide.
What is the SMILES notation for N-[3-(3-benzyl-2-methylimidazol-4-yl)-5-(trifluoromethyl)phenyl]-6-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]naphthalene-1-carboxamide?
The canonical SMILES for N-[3-(3-benzyl-2-methylimidazol-4-yl)-5-(trifluoromethyl)phenyl]-6-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]naphthalene-1-carboxamide is Cc1ncc(-c2cc(NC(=O)c3cccc4cc(Oc5ccnc(NC(=O)C6CC6)c5)ccc34)cc(C(F)(F)F)c2)n1Cc1ccccc1.
What is the InChIKey of N-[3-(3-benzyl-2-methylimidazol-4-yl)-5-(trifluoromethyl)phenyl]-6-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]naphthalene-1-carboxamide?
The InChIKey is OHLKKCWAMBKKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H30F3N5O3/c1-23-43-21-34(46(23)22-24-6-3-2-4-7-24)27-16-28(38(39,40)41)19-29(17-27)44-37(48)33-9-5-8-26-18-30(12-13-32(26)33)49-31-14-15-42-35(20-31)45-36(47)25-10-11-25/h2-9,12-21,25H,10-11,22H2,1H3,(H,44,48)(H,42,45,47).
What are the key properties of N-[3-(3-benzyl-2-methylimidazol-4-yl)-5-(trifluoromethyl)phenyl]-6-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]naphthalene-1-carboxamide?
N-[3-(3-benzyl-2-methylimidazol-4-yl)-5-(trifluoromethyl)phenyl]-6-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]naphthalene-1-carboxamide has a molecular weight of 661.68 g/mol, XLogP of 8.87, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-benzyl-2-methylimidazol-4-yl)-5-(trifluoromethyl)phenyl]-6-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]naphthalene-1-carboxamide is sourced from PubChem (CID 59314441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).