1-adamantyl-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone

C26H35N5O — CID 10836548

IUPAC1-adamantyl-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
SMILESO=C(N1CCC(CNCc2cccc(-n3cccn3)n2)CC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C26H35N5O/c32-25(26-14-20-11-21(15-26)13-22(12-20)16-26)30-9-5-19(6-10-30)17-27-18-23-3-1-4-24(29-23)31-8-2-7-28-31/h1-4,7-8,19-22,27H,5-6,9-18H2
InChIKeyYMUPRZJYALSPGS-UHFFFAOYSA-N
MW433.60 g/mol
LogP3.81
Rot. Bonds6

About 1-adamantyl-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone

1-adamantyl-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone (PubChem CID 10836548) has the molecular formula C26H35N5O and a molecular weight of 433.60 g/mol. Its IUPAC name is 1-adamantyl-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name1-adamantyl-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
PubChem CID10836548
Molecular FormulaC26H35N5O
Molecular Weight433.60 g/mol
Exact Mass433.28
IUPAC Name1-adamantyl-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
SMILESO=C(N1CCC(CNCc2cccc(-n3cccn3)n2)CC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C26H35N5O/c32-25(26-14-20-11-21(15-26)13-22(12-20)16-26)30-9-5-19(6-10-30)17-27-18-23-3-1-4-24(29-23)31-8-2-7-28-31/h1-4,7-8,19-22,27H,5-6,9-18H2
InChIKeyYMUPRZJYALSPGS-UHFFFAOYSA-N
XLogP3.81
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.60
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-adamantyl-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-adamantyl-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone?
The IUPAC name of 1-adamantyl-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone (CID 10836548) is 1-adamantyl-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for 1-adamantyl-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone?
The canonical SMILES for 1-adamantyl-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone is O=C(N1CCC(CNCc2cccc(-n3cccn3)n2)CC1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-adamantyl-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone?
The InChIKey is YMUPRZJYALSPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O/c32-25(26-14-20-11-21(15-26)13-22(12-20)16-26)30-9-5-19(6-10-30)17-27-18-23-3-1-4-24(29-23)31-8-2-7-28-31/h1-4,7-8,19-22,27H,5-6,9-18H2.
What are the key properties of 1-adamantyl-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone?
1-adamantyl-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone has a molecular weight of 433.60 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 10836548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).