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

C24H18ClN3O4 — CID 137259024

IUPAC4-[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
InChIInChI=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-
InChIKeyPSCWTTIEEUYZSJ-VYIQYICTSA-N
MW447.88 g/mol
LogP4.69
Rot. Bonds5

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 Name4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carbonitrile
PubChem CID137259024
Molecular FormulaC24H18ClN3O4
Molecular Weight447.88 g/mol
Exact Mass447.10
IUPAC Name4-[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
InChIInChI=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-
InChIKeyPSCWTTIEEUYZSJ-VYIQYICTSA-N
XLogP4.69
TPSA112.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.88
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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).