5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-[[3-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]phenyl]methyl]furan-2-carboxamide

C34H37F3N4O2 — CID 21045807

IUPAC5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-[[3-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]phenyl]methyl]furan-2-carboxamide
SMILESCc1cc2c(cc1Cc1ccc(C(=O)NCc3cccc(CNc4nccc(C(F)(F)F)n4)c3)o1)C(C)(C)CCC2(C)C
InChIInChI=1S/C34H37F3N4O2/c1-21-15-26-27(33(4,5)13-12-32(26,2)3)18-24(21)17-25-9-10-28(43-25)30(42)39-19-22-7-6-8-23(16-22)20-40-31-38-14-11-29(41-31)34(35,36)37/h6-11,14-16,18H,12-13,17,19-20H2,1-5H3,(H,39,42)(H,38,40,41)
InChIKeyTYZQNLSBMJCSLZ-UHFFFAOYSA-N
MW590.69 g/mol
LogP7.88
Rot. Bonds8

About 5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-[[3-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]phenyl]methyl]furan-2-carboxamide

5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-[[3-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]phenyl]methyl]furan-2-carboxamide (PubChem CID 21045807) has the molecular formula C34H37F3N4O2 and a molecular weight of 590.69 g/mol. Its IUPAC name is 5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-[[3-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]phenyl]methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-[[3-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]phenyl]methyl]furan-2-carboxamide
PubChem CID21045807
Molecular FormulaC34H37F3N4O2
Molecular Weight590.69 g/mol
Exact Mass590.29
IUPAC Name5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-[[3-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]phenyl]methyl]furan-2-carboxamide
SMILESCc1cc2c(cc1Cc1ccc(C(=O)NCc3cccc(CNc4nccc(C(F)(F)F)n4)c3)o1)C(C)(C)CCC2(C)C
InChIInChI=1S/C34H37F3N4O2/c1-21-15-26-27(33(4,5)13-12-32(26,2)3)18-24(21)17-25-9-10-28(43-25)30(42)39-19-22-7-6-8-23(16-22)20-40-31-38-14-11-29(41-31)34(35,36)37/h6-11,14-16,18H,12-13,17,19-20H2,1-5H3,(H,39,42)(H,38,40,41)
InChIKeyTYZQNLSBMJCSLZ-UHFFFAOYSA-N
XLogP7.88
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.69
LogP ≤ 57.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-[[3-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]phenyl]methyl]furan-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-[[3-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]phenyl]methyl]furan-2-carboxamide?
The IUPAC name of 5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-[[3-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]phenyl]methyl]furan-2-carboxamide (CID 21045807) is 5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-[[3-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]phenyl]methyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-[[3-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]phenyl]methyl]furan-2-carboxamide?
The canonical SMILES for 5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-[[3-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]phenyl]methyl]furan-2-carboxamide is Cc1cc2c(cc1Cc1ccc(C(=O)NCc3cccc(CNc4nccc(C(F)(F)F)n4)c3)o1)C(C)(C)CCC2(C)C.
What is the InChIKey of 5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-[[3-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]phenyl]methyl]furan-2-carboxamide?
The InChIKey is TYZQNLSBMJCSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37F3N4O2/c1-21-15-26-27(33(4,5)13-12-32(26,2)3)18-24(21)17-25-9-10-28(43-25)30(42)39-19-22-7-6-8-23(16-22)20-40-31-38-14-11-29(41-31)34(35,36)37/h6-11,14-16,18H,12-13,17,19-20H2,1-5H3,(H,39,42)(H,38,40,41).
What are the key properties of 5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-[[3-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]phenyl]methyl]furan-2-carboxamide?
5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-[[3-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]phenyl]methyl]furan-2-carboxamide has a molecular weight of 590.69 g/mol, XLogP of 7.88, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-[[3-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]phenyl]methyl]furan-2-carboxamide is sourced from PubChem (CID 21045807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).