1-[2-(difluoromethoxy)phenyl]-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;1-(2-methyl-6-propan-2-ylphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea

C59H60F2N8O5 — CID 159983897

About 1-[2-(difluoromethoxy)phenyl]-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;1-(2-methyl-6-propan-2-ylphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea

1-[2-(difluoromethoxy)phenyl]-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;1-(2-methyl-6-propan-2-ylphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea (PubChem CID 159983897) has the molecular formula C59H60F2N8O5 and a molecular weight of 999.18 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)phenyl]-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;1-(2-methyl-6-propan-2-ylphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea.

Molecular Properties

• Compound Name: 1-[2-(difluoromethoxy)phenyl]-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;1-(2-methyl-6-propan-2-ylphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea
• PubChem CID: 159983897
• Molecular Formula: C59H60F2N8O5
• Molecular Weight: 999.18 g/mol
• Exact Mass: 998.47
• IUPAC Name: 1-[2-(difluoromethoxy)phenyl]-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;1-(2-methyl-6-propan-2-ylphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea
• SMILES: Cc1cccc(C(C)C)c1NC(=O)Nc1ccc(-c2ccc(CN3CCOCC3)nc2)c2ccccc12.O=C(Nc1ccccc1OC(F)F)Nc1ccc(-c2ccc(CN3CCOCC3)nc2)c2ccccc12
• InChI: InChI=1S/C31H34N4O2.C28H26F2N4O3/c1-21(2)25-10-6-7-22(3)30(25)34-31(36)33-29-14-13-26(27-8-4-5-9-28(27)29)23-11-12-24(32-19-23)20-35-15-17-37-18-16-35;29-27(30)37-26-8-4-3-7-25(26)33-28(35)32-24-12-11-21(22-5-1-2-6-23(22)24)19-9-10-20(31-17-19)18-34-13-15-36-16-14-34/h4-14,19,21H,15-18,20H2,1-3H3,(H2,33,34,36);1-12,17,27H,13-16,18H2,(H2,32,33,35)
• InChIKey: OGBYWNREEDBRGN-UHFFFAOYSA-N
• XLogP: 12.79
• TPSA: 142.21 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 13
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	999.18
LogP ≤ 5	12.79
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)phenyl]-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;1-(2-methyl-6-propan-2-ylphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea?

The IUPAC name of 1-[2-(difluoromethoxy)phenyl]-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;1-(2-methyl-6-propan-2-ylphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea (CID 159983897) is 1-[2-(difluoromethoxy)phenyl]-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;1-(2-methyl-6-propan-2-ylphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea.

What is the SMILES notation for 1-[2-(difluoromethoxy)phenyl]-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;1-(2-methyl-6-propan-2-ylphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea?

The canonical SMILES for 1-[2-(difluoromethoxy)phenyl]-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;1-(2-methyl-6-propan-2-ylphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea is Cc1cccc(C(C)C)c1NC(=O)Nc1ccc(-c2ccc(CN3CCOCC3)nc2)c2ccccc12.O=C(Nc1ccccc1OC(F)F)Nc1ccc(-c2ccc(CN3CCOCC3)nc2)c2ccccc12.

What is the InChIKey of 1-[2-(difluoromethoxy)phenyl]-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;1-(2-methyl-6-propan-2-ylphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea?

The InChIKey is OGBYWNREEDBRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N4O2.C28H26F2N4O3/c1-21(2)25-10-6-7-22(3)30(25)34-31(36)33-29-14-13-26(27-8-4-5-9-28(27)29)23-11-12-24(32-19-23)20-35-15-17-37-18-16-35;29-27(30)37-26-8-4-3-7-25(26)33-28(35)32-24-12-11-21(22-5-1-2-6-23(22)24)19-9-10-20(31-17-19)18-34-13-15-36-16-14-34/h4-14,19,21H,15-18,20H2,1-3H3,(H2,33,34,36);1-12,17,27H,13-16,18H2,(H2,32,33,35).

What are the key properties of 1-[2-(difluoromethoxy)phenyl]-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;1-(2-methyl-6-propan-2-ylphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea?

1-[2-(difluoromethoxy)phenyl]-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;1-(2-methyl-6-propan-2-ylphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea has a molecular weight of 999.18 g/mol, XLogP of 12.79, 13 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(difluoromethoxy)phenyl]-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;1-(2-methyl-6-propan-2-ylphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea is sourced from PubChem (CID 159983897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).