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

C30H40ClN5O2 — CID 142693892

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

5-hydroxy-N-[[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methyl]-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide;hydrochloride (PubChem CID 142693892) has the molecular formula C30H40ClN5O2 and a molecular weight of 538.14 g/mol. Its IUPAC name is 5-hydroxy-N-[[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methyl]-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: 5-hydroxy-N-[[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methyl]-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide;hydrochloride
• PubChem CID: 142693892
• Molecular Formula: C30H40ClN5O2
• Molecular Weight: 538.14 g/mol
• Exact Mass: 537.29
• IUPAC Name: 5-hydroxy-N-[[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methyl]-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide;hydrochloride
• SMILES: CC(C)c1ccc(N(Cc2cnn(CCN3CCCCC3)c2)C(=O)C2CCCc3c(O)cccc32)cn1.Cl
• InChI: InChI=1S/C30H39N5O2.ClH/c1-22(2)28-13-12-24(19-31-28)35(30(37)27-10-6-9-26-25(27)8-7-11-29(26)36)21-23-18-32-34(20-23)17-16-33-14-4-3-5-15-33;/h7-8,11-13,18-20,22,27,36H,3-6,9-10,14-17,21H2,1-2H3;1H
• InChIKey: OUSMRGRHNWCBPX-UHFFFAOYSA-N
• XLogP: 5.67
• TPSA: 74.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	538.14
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-hydroxy-N-[[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methyl]-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide;hydrochloride (CID 142693892) is 5-hydroxy-N-[[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methyl]-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide;hydrochloride.

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

The canonical SMILES for 5-hydroxy-N-[[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methyl]-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide;hydrochloride is CC(C)c1ccc(N(Cc2cnn(CCN3CCCCC3)c2)C(=O)C2CCCc3c(O)cccc32)cn1.Cl.

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

The InChIKey is OUSMRGRHNWCBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39N5O2.ClH/c1-22(2)28-13-12-24(19-31-28)35(30(37)27-10-6-9-26-25(27)8-7-11-29(26)36)21-23-18-32-34(20-23)17-16-33-14-4-3-5-15-33;/h7-8,11-13,18-20,22,27,36H,3-6,9-10,14-17,21H2,1-2H3;1H.

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

5-hydroxy-N-[[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methyl]-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide;hydrochloride has a molecular weight of 538.14 g/mol, XLogP of 5.67, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-hydroxy-N-[[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methyl]-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide;hydrochloride is sourced from PubChem (CID 142693892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).