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

C32H23F3N6O2 — CID 25156740

IUPACN-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-6-[[2-(pyridin-2-ylamino)-4-pyridinyl]oxy]naphthalene-1-carboxamide
SMILESCc1cn(-c2cc(NC(=O)c3cccc4cc(Oc5ccnc(Nc6ccccn6)c5)ccc34)cc(C(F)(F)F)c2)cn1
InChIInChI=1S/C32H23F3N6O2/c1-20-18-41(19-38-20)24-15-22(32(33,34)35)14-23(16-24)39-31(42)28-6-4-5-21-13-25(8-9-27(21)28)43-26-10-12-37-30(17-26)40-29-7-2-3-11-36-29/h2-19H,1H3,(H,39,42)(H,36,37,40)
InChIKeyYLFSQHDNZXYOOB-UHFFFAOYSA-N
MW580.57 g/mol
LogP7.93
Rot. Bonds7

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

N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-6-[[2-(pyridin-2-ylamino)-4-pyridinyl]oxy]naphthalene-1-carboxamide (PubChem CID 25156740) has the molecular formula C32H23F3N6O2 and a molecular weight of 580.57 g/mol. Its IUPAC name is N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-6-[[2-(pyridin-2-ylamino)-4-pyridinyl]oxy]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-6-[[2-(pyridin-2-ylamino)-4-pyridinyl]oxy]naphthalene-1-carboxamide
PubChem CID25156740
Molecular FormulaC32H23F3N6O2
Molecular Weight580.57 g/mol
Exact Mass580.18
IUPAC NameN-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-6-[[2-(pyridin-2-ylamino)-4-pyridinyl]oxy]naphthalene-1-carboxamide
SMILESCc1cn(-c2cc(NC(=O)c3cccc4cc(Oc5ccnc(Nc6ccccn6)c5)ccc34)cc(C(F)(F)F)c2)cn1
InChIInChI=1S/C32H23F3N6O2/c1-20-18-41(19-38-20)24-15-22(32(33,34)35)14-23(16-24)39-31(42)28-6-4-5-21-13-25(8-9-27(21)28)43-26-10-12-37-30(17-26)40-29-7-2-3-11-36-29/h2-19H,1H3,(H,39,42)(H,36,37,40)
InChIKeyYLFSQHDNZXYOOB-UHFFFAOYSA-N
XLogP7.93
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.57
LogP ≤ 57.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-6-[[2-(pyridin-2-ylamino)-4-pyridinyl]oxy]naphthalene-1-carboxamide?
The IUPAC name of N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-6-[[2-(pyridin-2-ylamino)-4-pyridinyl]oxy]naphthalene-1-carboxamide (CID 25156740) is N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-6-[[2-(pyridin-2-ylamino)-4-pyridinyl]oxy]naphthalene-1-carboxamide.
What is the SMILES notation for N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-6-[[2-(pyridin-2-ylamino)-4-pyridinyl]oxy]naphthalene-1-carboxamide?
The canonical SMILES for N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-6-[[2-(pyridin-2-ylamino)-4-pyridinyl]oxy]naphthalene-1-carboxamide is Cc1cn(-c2cc(NC(=O)c3cccc4cc(Oc5ccnc(Nc6ccccn6)c5)ccc34)cc(C(F)(F)F)c2)cn1.
What is the InChIKey of N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-6-[[2-(pyridin-2-ylamino)-4-pyridinyl]oxy]naphthalene-1-carboxamide?
The InChIKey is YLFSQHDNZXYOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23F3N6O2/c1-20-18-41(19-38-20)24-15-22(32(33,34)35)14-23(16-24)39-31(42)28-6-4-5-21-13-25(8-9-27(21)28)43-26-10-12-37-30(17-26)40-29-7-2-3-11-36-29/h2-19H,1H3,(H,39,42)(H,36,37,40).
What are the key properties of N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-6-[[2-(pyridin-2-ylamino)-4-pyridinyl]oxy]naphthalene-1-carboxamide?
N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-6-[[2-(pyridin-2-ylamino)-4-pyridinyl]oxy]naphthalene-1-carboxamide has a molecular weight of 580.57 g/mol, XLogP of 7.93, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-6-[[2-(pyridin-2-ylamino)-4-pyridinyl]oxy]naphthalene-1-carboxamide is sourced from PubChem (CID 25156740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).