4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carbonitrile

C24H18ClN3O4 — CID 137259024

About 4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carbonitrile

4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carbonitrile (PubChem CID 137259024) has the molecular formula C24H18ClN3O4 and a molecular weight of 447.88 g/mol. Its IUPAC name is 4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carbonitrile
• PubChem CID: 137259024
• Molecular Formula: C24H18ClN3O4
• Molecular Weight: 447.88 g/mol
• Exact Mass: 447.10
• IUPAC Name: 4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carbonitrile
• SMILES: [H]/N=c1\oc2cc(C)[nH]c(=O)c2c(-c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)c1C#N
• InChI: InChI=1S/C24H18ClN3O4/c1-13-9-20-22(24(29)28-13)21(17(11-26)23(27)32-20)15-5-8-18(19(10-15)30-2)31-12-14-3-6-16(25)7-4-14/h3-10,27H,12H2,1-2H3,(H,28,29)/b27-23-
• InChIKey: PSCWTTIEEUYZSJ-VYIQYICTSA-N
• XLogP: 4.69
• TPSA: 112.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.88
LogP ≤ 5	4.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carbonitrile?

The IUPAC name of 4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carbonitrile (CID 137259024) is 4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carbonitrile.

What is the SMILES notation for 4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carbonitrile?

The canonical SMILES for 4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carbonitrile is [H]/N=c1\oc2cc(C)[nH]c(=O)c2c(-c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)c1C#N.

What is the InChIKey of 4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carbonitrile?

The InChIKey is PSCWTTIEEUYZSJ-VYIQYICTSA-N. The full InChI is InChI=1S/C24H18ClN3O4/c1-13-9-20-22(24(29)28-13)21(17(11-26)23(27)32-20)15-5-8-18(19(10-15)30-2)31-12-14-3-6-16(25)7-4-14/h3-10,27H,12H2,1-2H3,(H,28,29)/b27-23-.

What are the key properties of 4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carbonitrile?

4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carbonitrile has a molecular weight of 447.88 g/mol, XLogP of 4.69, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carbonitrile is sourced from PubChem (CID 137259024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).