2-[(2-chloro-6-fluorophenyl)methoxy]-6-methoxy-4-(4-methoxyphenyl)pyrido[2,3-b]pyrazin-3-one

C22H17ClFN3O4 — CID 110167909

IUPAC2-[(2-chloro-6-fluorophenyl)methoxy]-6-methoxy-4-(4-methoxyphenyl)pyrido[2,3-b]pyrazin-3-one
SMILESCOc1ccc(-n2c(=O)c(OCc3c(F)cccc3Cl)nc3ccc(OC)nc32)cc1
InChIInChI=1S/C22H17ClFN3O4/c1-29-14-8-6-13(7-9-14)27-20-18(10-11-19(26-20)30-2)25-21(22(27)28)31-12-15-16(23)4-3-5-17(15)24/h3-11H,12H2,1-2H3
InChIKeyHBHFAAYCLGNTLK-UHFFFAOYSA-N
MW441.85 g/mol
LogP4.17
Rot. Bonds6

About 2-[(2-chloro-6-fluorophenyl)methoxy]-6-methoxy-4-(4-methoxyphenyl)pyrido[2,3-b]pyrazin-3-one

2-[(2-chloro-6-fluorophenyl)methoxy]-6-methoxy-4-(4-methoxyphenyl)pyrido[2,3-b]pyrazin-3-one (PubChem CID 110167909) has the molecular formula C22H17ClFN3O4 and a molecular weight of 441.85 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methoxy]-6-methoxy-4-(4-methoxyphenyl)pyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methoxy]-6-methoxy-4-(4-methoxyphenyl)pyrido[2,3-b]pyrazin-3-one
PubChem CID110167909
Molecular FormulaC22H17ClFN3O4
Molecular Weight441.85 g/mol
Exact Mass441.09
IUPAC Name2-[(2-chloro-6-fluorophenyl)methoxy]-6-methoxy-4-(4-methoxyphenyl)pyrido[2,3-b]pyrazin-3-one
SMILESCOc1ccc(-n2c(=O)c(OCc3c(F)cccc3Cl)nc3ccc(OC)nc32)cc1
InChIInChI=1S/C22H17ClFN3O4/c1-29-14-8-6-13(7-9-14)27-20-18(10-11-19(26-20)30-2)25-21(22(27)28)31-12-15-16(23)4-3-5-17(15)24/h3-11H,12H2,1-2H3
InChIKeyHBHFAAYCLGNTLK-UHFFFAOYSA-N
XLogP4.17
TPSA75.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.85
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methoxy]-6-methoxy-4-(4-methoxyphenyl)pyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methoxy]-6-methoxy-4-(4-methoxyphenyl)pyrido[2,3-b]pyrazin-3-one (CID 110167909) is 2-[(2-chloro-6-fluorophenyl)methoxy]-6-methoxy-4-(4-methoxyphenyl)pyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methoxy]-6-methoxy-4-(4-methoxyphenyl)pyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methoxy]-6-methoxy-4-(4-methoxyphenyl)pyrido[2,3-b]pyrazin-3-one is COc1ccc(-n2c(=O)c(OCc3c(F)cccc3Cl)nc3ccc(OC)nc32)cc1.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methoxy]-6-methoxy-4-(4-methoxyphenyl)pyrido[2,3-b]pyrazin-3-one?
The InChIKey is HBHFAAYCLGNTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClFN3O4/c1-29-14-8-6-13(7-9-14)27-20-18(10-11-19(26-20)30-2)25-21(22(27)28)31-12-15-16(23)4-3-5-17(15)24/h3-11H,12H2,1-2H3.
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methoxy]-6-methoxy-4-(4-methoxyphenyl)pyrido[2,3-b]pyrazin-3-one?
2-[(2-chloro-6-fluorophenyl)methoxy]-6-methoxy-4-(4-methoxyphenyl)pyrido[2,3-b]pyrazin-3-one has a molecular weight of 441.85 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-fluorophenyl)methoxy]-6-methoxy-4-(4-methoxyphenyl)pyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 110167909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).