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

C33H41N5O4 — CID 161413944

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

5-hydroxy-N-[[1-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]pyrazol-4-yl]methyl]-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide;methane (PubChem CID 161413944) has the molecular formula C33H41N5O4 and a molecular weight of 571.72 g/mol. Its IUPAC name is 5-hydroxy-N-[[1-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]pyrazol-4-yl]methyl]-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide;methane.

Molecular Properties

• Compound Name: 5-hydroxy-N-[[1-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]pyrazol-4-yl]methyl]-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide;methane
• PubChem CID: 161413944
• Molecular Formula: C33H41N5O4
• Molecular Weight: 571.72 g/mol
• Exact Mass: 571.32
• IUPAC Name: 5-hydroxy-N-[[1-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]pyrazol-4-yl]methyl]-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide;methane
• SMILES: C.COCCOc1ccc(Cn2cc(CN(C(=O)C3CCCc4c(O)cccc43)c3ccc(C(C)C)nc3)cn2)cn1
• InChI: InChI=1S/C32H37N5O4.CH4/c1-22(2)29-12-11-25(18-33-29)37(32(39)28-8-4-7-27-26(28)6-5-9-30(27)38)21-24-17-35-36(20-24)19-23-10-13-31(34-16-23)41-15-14-40-3;/h5-6,9-13,16-18,20,22,28,38H,4,7-8,14-15,19,21H2,1-3H3;1H4
• InChIKey: VVVGZKFMNFGQPZ-UHFFFAOYSA-N
• XLogP: 5.86
• TPSA: 102.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	571.72
LogP ≤ 5	5.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 5-hydroxy-N-[[1-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]pyrazol-4-yl]methyl]-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide;methane (CID 161413944) is 5-hydroxy-N-[[1-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]pyrazol-4-yl]methyl]-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide;methane.

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

The canonical SMILES for 5-hydroxy-N-[[1-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]pyrazol-4-yl]methyl]-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide;methane is C.COCCOc1ccc(Cn2cc(CN(C(=O)C3CCCc4c(O)cccc43)c3ccc(C(C)C)nc3)cn2)cn1.

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

The InChIKey is VVVGZKFMNFGQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N5O4.CH4/c1-22(2)29-12-11-25(18-33-29)37(32(39)28-8-4-7-27-26(28)6-5-9-30(27)38)21-24-17-35-36(20-24)19-23-10-13-31(34-16-23)41-15-14-40-3;/h5-6,9-13,16-18,20,22,28,38H,4,7-8,14-15,19,21H2,1-3H3;1H4.

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

5-hydroxy-N-[[1-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]pyrazol-4-yl]methyl]-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide;methane has a molecular weight of 571.72 g/mol, XLogP of 5.86, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-hydroxy-N-[[1-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]pyrazol-4-yl]methyl]-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide;methane is sourced from PubChem (CID 161413944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).