4-[(5-chloro-2-pyridinyl)methoxy]-1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)pyridin-2-one;dihydrochloride

C24H25Cl3N4O2 — CID 68658038

About 4-[(5-chloro-2-pyridinyl)methoxy]-1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)pyridin-2-one;dihydrochloride

4-[(5-chloro-2-pyridinyl)methoxy]-1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)pyridin-2-one;dihydrochloride (PubChem CID 68658038) has the molecular formula C24H25Cl3N4O2 and a molecular weight of 507.85 g/mol. Its IUPAC name is 4-[(5-chloro-2-pyridinyl)methoxy]-1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)pyridin-2-one;dihydrochloride.

Molecular Properties

• Compound Name: 4-[(5-chloro-2-pyridinyl)methoxy]-1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)pyridin-2-one;dihydrochloride
• PubChem CID: 68658038
• Molecular Formula: C24H25Cl3N4O2
• Molecular Weight: 507.85 g/mol
• Exact Mass: 506.10
• IUPAC Name: 4-[(5-chloro-2-pyridinyl)methoxy]-1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)pyridin-2-one;dihydrochloride
• SMILES: CN1CCc2c(c3ccc(-n4ccc(OCc5ccc(Cl)cn5)cc4=O)cc3n2C)C1.Cl.Cl
• InChI: InChI=1S/C24H23ClN4O2.2ClH/c1-27-9-8-22-21(14-27)20-6-5-18(11-23(20)28(22)2)29-10-7-19(12-24(29)30)31-15-17-4-3-16(25)13-26-17;;/h3-7,10-13H,8-9,14-15H2,1-2H3;2*1H
• InChIKey: DUOCQYRICSJCHO-UHFFFAOYSA-N
• XLogP: 4.79
• TPSA: 52.29 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.85
LogP ≤ 5	4.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-2-pyridinyl)methoxy]-1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)pyridin-2-one;dihydrochloride?

The IUPAC name of 4-[(5-chloro-2-pyridinyl)methoxy]-1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)pyridin-2-one;dihydrochloride (CID 68658038) is 4-[(5-chloro-2-pyridinyl)methoxy]-1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)pyridin-2-one;dihydrochloride.

What is the SMILES notation for 4-[(5-chloro-2-pyridinyl)methoxy]-1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)pyridin-2-one;dihydrochloride?

The canonical SMILES for 4-[(5-chloro-2-pyridinyl)methoxy]-1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)pyridin-2-one;dihydrochloride is CN1CCc2c(c3ccc(-n4ccc(OCc5ccc(Cl)cn5)cc4=O)cc3n2C)C1.Cl.Cl.

What is the InChIKey of 4-[(5-chloro-2-pyridinyl)methoxy]-1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)pyridin-2-one;dihydrochloride?

The InChIKey is DUOCQYRICSJCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O2.2ClH/c1-27-9-8-22-21(14-27)20-6-5-18(11-23(20)28(22)2)29-10-7-19(12-24(29)30)31-15-17-4-3-16(25)13-26-17;;/h3-7,10-13H,8-9,14-15H2,1-2H3;2*1H.

What are the key properties of 4-[(5-chloro-2-pyridinyl)methoxy]-1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)pyridin-2-one;dihydrochloride?

4-[(5-chloro-2-pyridinyl)methoxy]-1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)pyridin-2-one;dihydrochloride has a molecular weight of 507.85 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(5-chloro-2-pyridinyl)methoxy]-1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)pyridin-2-one;dihydrochloride is sourced from PubChem (CID 68658038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).