5-hydroxy-N-(6-propan-2-yl-3-pyridinyl)-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide

C31H31F3N4O2 — CID 16678571

About 5-hydroxy-N-(6-propan-2-yl-3-pyridinyl)-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide

5-hydroxy-N-(6-propan-2-yl-3-pyridinyl)-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 16678571) has the molecular formula C31H31F3N4O2 and a molecular weight of 548.61 g/mol. Its IUPAC name is 5-hydroxy-N-(6-propan-2-yl-3-pyridinyl)-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

• Compound Name: 5-hydroxy-N-(6-propan-2-yl-3-pyridinyl)-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
• PubChem CID: 16678571
• Molecular Formula: C31H31F3N4O2
• Molecular Weight: 548.61 g/mol
• Exact Mass: 548.24
• IUPAC Name: 5-hydroxy-N-(6-propan-2-yl-3-pyridinyl)-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
• SMILES: CC(C)c1ccc(N(Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C(=O)C2CCCc3c(O)cccc32)cn1
• InChI: InChI=1S/C31H31F3N4O2/c1-20(2)28-14-13-24(16-35-28)38(30(40)27-7-3-6-26-25(27)5-4-8-29(26)39)19-22-15-36-37(18-22)17-21-9-11-23(12-10-21)31(32,33)34/h4-5,8-16,18,20,27,39H,3,6-7,17,19H2,1-2H3
• InChIKey: VYOFVAOOAMYMNP-UHFFFAOYSA-N
• XLogP: 6.83
• TPSA: 71.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	548.61
LogP ≤ 5	6.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N-(6-propan-2-yl-3-pyridinyl)-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?

The IUPAC name of 5-hydroxy-N-(6-propan-2-yl-3-pyridinyl)-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 16678571) is 5-hydroxy-N-(6-propan-2-yl-3-pyridinyl)-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

What is the SMILES notation for 5-hydroxy-N-(6-propan-2-yl-3-pyridinyl)-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?

The canonical SMILES for 5-hydroxy-N-(6-propan-2-yl-3-pyridinyl)-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide is CC(C)c1ccc(N(Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C(=O)C2CCCc3c(O)cccc32)cn1.

What is the InChIKey of 5-hydroxy-N-(6-propan-2-yl-3-pyridinyl)-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?

The InChIKey is VYOFVAOOAMYMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31F3N4O2/c1-20(2)28-14-13-24(16-35-28)38(30(40)27-7-3-6-26-25(27)5-4-8-29(26)39)19-22-15-36-37(18-22)17-21-9-11-23(12-10-21)31(32,33)34/h4-5,8-16,18,20,27,39H,3,6-7,17,19H2,1-2H3.

What are the key properties of 5-hydroxy-N-(6-propan-2-yl-3-pyridinyl)-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?

5-hydroxy-N-(6-propan-2-yl-3-pyridinyl)-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 548.61 g/mol, XLogP of 6.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-hydroxy-N-(6-propan-2-yl-3-pyridinyl)-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 16678571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).