(6-methoxy-3-pyridinyl)-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone

C19H18N4O2 — CID 53185464

About (6-methoxy-3-pyridinyl)-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone

(6-methoxy-3-pyridinyl)-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone (PubChem CID 53185464) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is (6-methoxy-3-pyridinyl)-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone.

Molecular Properties

• Compound Name: (6-methoxy-3-pyridinyl)-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone
• PubChem CID: 53185464
• Molecular Formula: C19H18N4O2
• Molecular Weight: 334.38 g/mol
• Exact Mass: 334.14
• IUPAC Name: (6-methoxy-3-pyridinyl)-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone
• SMILES: COc1ccc(C(=O)N2CCc3[nH]nc(-c4ccccc4)c3C2)cn1
• InChI: InChI=1S/C19H18N4O2/c1-25-17-8-7-14(11-20-17)19(24)23-10-9-16-15(12-23)18(22-21-16)13-5-3-2-4-6-13/h2-8,11H,9-10,12H2,1H3,(H,21,22)
• InChIKey: QTEPUPOEJRINPF-UHFFFAOYSA-N
• XLogP: 2.68
• TPSA: 71.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	334.38
LogP ≤ 5	2.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of (6-methoxy-3-pyridinyl)-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone (CID 53185464) is (6-methoxy-3-pyridinyl)-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone.

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

The canonical SMILES for (6-methoxy-3-pyridinyl)-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone is COc1ccc(C(=O)N2CCc3[nH]nc(-c4ccccc4)c3C2)cn1.

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

The InChIKey is QTEPUPOEJRINPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-25-17-8-7-14(11-20-17)19(24)23-10-9-16-15(12-23)18(22-21-16)13-5-3-2-4-6-13/h2-8,11H,9-10,12H2,1H3,(H,21,22).

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

(6-methoxy-3-pyridinyl)-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone has a molecular weight of 334.38 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (6-methoxy-3-pyridinyl)-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone is sourced from PubChem (CID 53185464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).