1-[2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea

C29H27F3N4O3 — CID 10165612

IUPAC1-[2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea
SMILESCOc1ccc(C(F)(F)F)cc1NC(=O)Nc1ccc(-c2ccc(CN3CCOCC3)nc2)c2ccccc12
InChIInChI=1S/C29H27F3N4O3/c1-38-27-11-7-20(29(30,31)32)16-26(27)35-28(37)34-25-10-9-22(23-4-2-3-5-24(23)25)19-6-8-21(33-17-19)18-36-12-14-39-15-13-36/h2-11,16-17H,12-15,18H2,1H3,(H2,34,35,37)
InChIKeyFBVHTEUZJDFLTA-UHFFFAOYSA-N
MW536.55 g/mol
LogP6.41
Rot. Bonds6

About 1-[2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea

1-[2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea (PubChem CID 10165612) has the molecular formula C29H27F3N4O3 and a molecular weight of 536.55 g/mol. Its IUPAC name is 1-[2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea.

Molecular Properties

Compound Name1-[2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea
PubChem CID10165612
Molecular FormulaC29H27F3N4O3
Molecular Weight536.55 g/mol
Exact Mass536.20
IUPAC Name1-[2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea
SMILESCOc1ccc(C(F)(F)F)cc1NC(=O)Nc1ccc(-c2ccc(CN3CCOCC3)nc2)c2ccccc12
InChIInChI=1S/C29H27F3N4O3/c1-38-27-11-7-20(29(30,31)32)16-26(27)35-28(37)34-25-10-9-22(23-4-2-3-5-24(23)25)19-6-8-21(33-17-19)18-36-12-14-39-15-13-36/h2-11,16-17H,12-15,18H2,1H3,(H2,34,35,37)
InChIKeyFBVHTEUZJDFLTA-UHFFFAOYSA-N
XLogP6.41
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.55
LogP ≤ 56.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea 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 1-[2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea?
The IUPAC name of 1-[2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea (CID 10165612) is 1-[2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea.
What is the SMILES notation for 1-[2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea?
The canonical SMILES for 1-[2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea is COc1ccc(C(F)(F)F)cc1NC(=O)Nc1ccc(-c2ccc(CN3CCOCC3)nc2)c2ccccc12.
What is the InChIKey of 1-[2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea?
The InChIKey is FBVHTEUZJDFLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27F3N4O3/c1-38-27-11-7-20(29(30,31)32)16-26(27)35-28(37)34-25-10-9-22(23-4-2-3-5-24(23)25)19-6-8-21(33-17-19)18-36-12-14-39-15-13-36/h2-11,16-17H,12-15,18H2,1H3,(H2,34,35,37).
What are the key properties of 1-[2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea?
1-[2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea has a molecular weight of 536.55 g/mol, XLogP of 6.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea is sourced from PubChem (CID 10165612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).