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

C27H34N4O2 — CID 59597274

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

5-hydroxy-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 59597274) has the molecular formula C27H34N4O2 and a molecular weight of 446.60 g/mol. Its IUPAC name is 5-hydroxy-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

• Compound Name: 5-hydroxy-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
• PubChem CID: 59597274
• Molecular Formula: C27H34N4O2
• Molecular Weight: 446.60 g/mol
• Exact Mass: 446.27
• IUPAC Name: 5-hydroxy-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
• SMILES: CC(C)Cn1cc(CN(C(=O)C2CCCc3c(O)cccc32)c2ccc(C(C)C)nc2)cn1
• InChI: InChI=1S/C27H34N4O2/c1-18(2)15-30-16-20(13-29-30)17-31(21-11-12-25(19(3)4)28-14-21)27(33)24-9-5-8-23-22(24)7-6-10-26(23)32/h6-7,10-14,16,18-19,24,32H,5,8-9,15,17H2,1-4H3
• InChIKey: IOBHFDZERCKSNV-UHFFFAOYSA-N
• XLogP: 5.42
• TPSA: 71.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	446.60
LogP ≤ 5	5.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 5-hydroxy-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 59597274) is 5-hydroxy-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

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

The canonical SMILES for 5-hydroxy-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide is CC(C)Cn1cc(CN(C(=O)C2CCCc3c(O)cccc32)c2ccc(C(C)C)nc2)cn1.

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

The InChIKey is IOBHFDZERCKSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O2/c1-18(2)15-30-16-20(13-29-30)17-31(21-11-12-25(19(3)4)28-14-21)27(33)24-9-5-8-23-22(24)7-6-10-26(23)32/h6-7,10-14,16,18-19,24,32H,5,8-9,15,17H2,1-4H3.

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

5-hydroxy-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 446.60 g/mol, XLogP of 5.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-hydroxy-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 59597274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).