(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone

C22H26N6O — CID 56752938

About (5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone

(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone (PubChem CID 56752938) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is (5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
• PubChem CID: 56752938
• Molecular Formula: C22H26N6O
• Molecular Weight: 390.49 g/mol
• Exact Mass: 390.22
• IUPAC Name: (5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
• SMILES: CN1CCc2[nH]nc(C(=O)N3CCCC(c4[nH]ncc4-c4ccccc4)C3)c2C1
• InChI: InChI=1S/C22H26N6O/c1-27-11-9-19-18(14-27)21(26-24-19)22(29)28-10-5-8-16(13-28)20-17(12-23-25-20)15-6-3-2-4-7-15/h2-4,6-7,12,16H,5,8-11,13-14H2,1H3,(H,23,25)(H,24,26)
• InChIKey: IQHGYPXSGUXKTK-UHFFFAOYSA-N
• XLogP: 2.81
• TPSA: 80.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.49
LogP ≤ 5	2.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?

The IUPAC name of (5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone (CID 56752938) is (5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone.

What is the SMILES notation for (5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?

The canonical SMILES for (5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone is CN1CCc2[nH]nc(C(=O)N3CCCC(c4[nH]ncc4-c4ccccc4)C3)c2C1.

What is the InChIKey of (5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?

The InChIKey is IQHGYPXSGUXKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O/c1-27-11-9-19-18(14-27)21(26-24-19)22(29)28-10-5-8-16(13-28)20-17(12-23-25-20)15-6-3-2-4-7-15/h2-4,6-7,12,16H,5,8-11,13-14H2,1H3,(H,23,25)(H,24,26).

What are the key properties of (5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?

(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 390.49 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 56752938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).