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

C30H30F3N5O2 — CID 16678781

About 5-hydroxy-N-(6-propan-2-yl-3-pyridinyl)-N-[[1-[[4-(trifluoromethyl)-2-pyridinyl]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)-2-pyridinyl]methyl]pyrazol-4-yl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 16678781) has the molecular formula C30H30F3N5O2 and a molecular weight of 549.60 g/mol. Its IUPAC name is 5-hydroxy-N-(6-propan-2-yl-3-pyridinyl)-N-[[1-[[4-(trifluoromethyl)-2-pyridinyl]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)-2-pyridinyl]methyl]pyrazol-4-yl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
• PubChem CID: 16678781
• Molecular Formula: C30H30F3N5O2
• Molecular Weight: 549.60 g/mol
• Exact Mass: 549.24
• IUPAC Name: 5-hydroxy-N-(6-propan-2-yl-3-pyridinyl)-N-[[1-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyrazol-4-yl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
• SMILES: CC(C)c1ccc(N(Cc2cnn(Cc3cc(C(F)(F)F)ccn3)c2)C(=O)C2CCCc3c(O)cccc32)cn1
• InChI: InChI=1S/C30H30F3N5O2/c1-19(2)27-10-9-23(15-35-27)38(29(40)26-7-3-6-25-24(26)5-4-8-28(25)39)17-20-14-36-37(16-20)18-22-13-21(11-12-34-22)30(31,32)33/h4-5,8-16,19,26,39H,3,6-7,17-18H2,1-2H3
• InChIKey: BZKLIZBXLPBKSM-UHFFFAOYSA-N
• XLogP: 6.22
• TPSA: 84.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	549.60
LogP ≤ 5	6.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N-(6-propan-2-yl-3-pyridinyl)-N-[[1-[[4-(trifluoromethyl)-2-pyridinyl]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)-2-pyridinyl]methyl]pyrazol-4-yl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 16678781) is 5-hydroxy-N-(6-propan-2-yl-3-pyridinyl)-N-[[1-[[4-(trifluoromethyl)-2-pyridinyl]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)-2-pyridinyl]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)-2-pyridinyl]methyl]pyrazol-4-yl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide is CC(C)c1ccc(N(Cc2cnn(Cc3cc(C(F)(F)F)ccn3)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)-2-pyridinyl]methyl]pyrazol-4-yl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?

The InChIKey is BZKLIZBXLPBKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30F3N5O2/c1-19(2)27-10-9-23(15-35-27)38(29(40)26-7-3-6-25-24(26)5-4-8-28(25)39)17-20-14-36-37(16-20)18-22-13-21(11-12-34-22)30(31,32)33/h4-5,8-16,19,26,39H,3,6-7,17-18H2,1-2H3.

What are the key properties of 5-hydroxy-N-(6-propan-2-yl-3-pyridinyl)-N-[[1-[[4-(trifluoromethyl)-2-pyridinyl]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)-2-pyridinyl]methyl]pyrazol-4-yl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 549.60 g/mol, XLogP of 6.22, 7 rotatable bonds, 1 hydrogen bond donors, and 6 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)-2-pyridinyl]methyl]pyrazol-4-yl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 16678781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).