[(2R)-1,4-dioxan-2-yl]-[3-(4-phenylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone

C23H23N3O3 — CID 95214816

About [(2R)-1,4-dioxan-2-yl]-[3-(4-phenylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone

[(2R)-1,4-dioxan-2-yl]-[3-(4-phenylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone (PubChem CID 95214816) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is [(2R)-1,4-dioxan-2-yl]-[3-(4-phenylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone.

Molecular Properties

• Compound Name: [(2R)-1,4-dioxan-2-yl]-[3-(4-phenylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
• PubChem CID: 95214816
• Molecular Formula: C23H23N3O3
• Molecular Weight: 389.46 g/mol
• Exact Mass: 389.17
• IUPAC Name: [(2R)-1,4-dioxan-2-yl]-[3-(4-phenylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
• SMILES: O=C([C@H]1COCCO1)N1CCc2[nH]nc(-c3ccc(-c4ccccc4)cc3)c2C1
• InChI: InChI=1S/C23H23N3O3/c27-23(21-15-28-12-13-29-21)26-11-10-20-19(14-26)22(25-24-20)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-9,21H,10-15H2,(H,24,25)/t21-/m1/s1
• InChIKey: JOMVZJIONPRHIJ-OAQYLSRUSA-N
• XLogP: 3.04
• TPSA: 67.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.46
LogP ≤ 5	3.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [(2R)-1,4-dioxan-2-yl]-[3-(4-phenylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone?

The IUPAC name of [(2R)-1,4-dioxan-2-yl]-[3-(4-phenylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone (CID 95214816) is [(2R)-1,4-dioxan-2-yl]-[3-(4-phenylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone.

What is the SMILES notation for [(2R)-1,4-dioxan-2-yl]-[3-(4-phenylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone?

The canonical SMILES for [(2R)-1,4-dioxan-2-yl]-[3-(4-phenylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone is O=C([C@H]1COCCO1)N1CCc2[nH]nc(-c3ccc(-c4ccccc4)cc3)c2C1.

What is the InChIKey of [(2R)-1,4-dioxan-2-yl]-[3-(4-phenylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone?

The InChIKey is JOMVZJIONPRHIJ-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H23N3O3/c27-23(21-15-28-12-13-29-21)26-11-10-20-19(14-26)22(25-24-20)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-9,21H,10-15H2,(H,24,25)/t21-/m1/s1.

What are the key properties of [(2R)-1,4-dioxan-2-yl]-[3-(4-phenylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone?

[(2R)-1,4-dioxan-2-yl]-[3-(4-phenylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone has a molecular weight of 389.46 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-1,4-dioxan-2-yl]-[3-(4-phenylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone is sourced from PubChem (CID 95214816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).