(2,6-dimethoxy-3-pyridinyl)-[(3S)-3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone

C18H24N4O4 — CID 126439973

About (2,6-dimethoxy-3-pyridinyl)-[(3S)-3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone

(2,6-dimethoxy-3-pyridinyl)-[(3S)-3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone (PubChem CID 126439973) has the molecular formula C18H24N4O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is (2,6-dimethoxy-3-pyridinyl)-[(3S)-3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (2,6-dimethoxy-3-pyridinyl)-[(3S)-3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone
• PubChem CID: 126439973
• Molecular Formula: C18H24N4O4
• Molecular Weight: 360.41 g/mol
• Exact Mass: 360.18
• IUPAC Name: (2,6-dimethoxy-3-pyridinyl)-[(3S)-3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone
• SMILES: COc1ccc(C(=O)N2CCC[C@H](c3ccn(CCO)n3)C2)c(OC)n1
• InChI: InChI=1S/C18H24N4O4/c1-25-16-6-5-14(17(19-16)26-2)18(24)21-8-3-4-13(12-21)15-7-9-22(20-15)10-11-23/h5-7,9,13,23H,3-4,8,10-12H2,1-2H3/t13-/m0/s1
• InChIKey: YPDPNVCIDQEJKA-ZDUSSCGKSA-N
• XLogP: 1.31
• TPSA: 89.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	360.41
LogP ≤ 5	1.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxy-3-pyridinyl)-[(3S)-3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone?

The IUPAC name of (2,6-dimethoxy-3-pyridinyl)-[(3S)-3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone (CID 126439973) is (2,6-dimethoxy-3-pyridinyl)-[(3S)-3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone.

What is the SMILES notation for (2,6-dimethoxy-3-pyridinyl)-[(3S)-3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone?

The canonical SMILES for (2,6-dimethoxy-3-pyridinyl)-[(3S)-3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone is COc1ccc(C(=O)N2CCC[C@H](c3ccn(CCO)n3)C2)c(OC)n1.

What is the InChIKey of (2,6-dimethoxy-3-pyridinyl)-[(3S)-3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone?

The InChIKey is YPDPNVCIDQEJKA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H24N4O4/c1-25-16-6-5-14(17(19-16)26-2)18(24)21-8-3-4-13(12-21)15-7-9-22(20-15)10-11-23/h5-7,9,13,23H,3-4,8,10-12H2,1-2H3/t13-/m0/s1.

What are the key properties of (2,6-dimethoxy-3-pyridinyl)-[(3S)-3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone?

(2,6-dimethoxy-3-pyridinyl)-[(3S)-3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone has a molecular weight of 360.41 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2,6-dimethoxy-3-pyridinyl)-[(3S)-3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 126439973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).