3-chloro-5-[4-(difluoromethoxy)phenyl]-7-(4-methoxyphenyl)pyrido[2,3-b]pyrazin-6-one

C21H14ClF2N3O3 — CID 155343664

IUPAC3-chloro-5-[4-(difluoromethoxy)phenyl]-7-(4-methoxyphenyl)pyrido[2,3-b]pyrazin-6-one
SMILESCOc1ccc(-c2cc3ncc(Cl)nc3n(-c3ccc(OC(F)F)cc3)c2=O)cc1
InChIInChI=1S/C21H14ClF2N3O3/c1-29-14-6-2-12(3-7-14)16-10-17-19(26-18(22)11-25-17)27(20(16)28)13-4-8-15(9-5-13)30-21(23)24/h2-11,21H,1H3
InChIKeyKINLDNDRPISARG-UHFFFAOYSA-N
MW429.81 g/mol
LogP4.71
Rot. Bonds5

About 3-chloro-5-[4-(difluoromethoxy)phenyl]-7-(4-methoxyphenyl)pyrido[2,3-b]pyrazin-6-one

3-chloro-5-[4-(difluoromethoxy)phenyl]-7-(4-methoxyphenyl)pyrido[2,3-b]pyrazin-6-one (PubChem CID 155343664) has the molecular formula C21H14ClF2N3O3 and a molecular weight of 429.81 g/mol. Its IUPAC name is 3-chloro-5-[4-(difluoromethoxy)phenyl]-7-(4-methoxyphenyl)pyrido[2,3-b]pyrazin-6-one.

Molecular Properties

Compound Name3-chloro-5-[4-(difluoromethoxy)phenyl]-7-(4-methoxyphenyl)pyrido[2,3-b]pyrazin-6-one
PubChem CID155343664
Molecular FormulaC21H14ClF2N3O3
Molecular Weight429.81 g/mol
Exact Mass429.07
IUPAC Name3-chloro-5-[4-(difluoromethoxy)phenyl]-7-(4-methoxyphenyl)pyrido[2,3-b]pyrazin-6-one
SMILESCOc1ccc(-c2cc3ncc(Cl)nc3n(-c3ccc(OC(F)F)cc3)c2=O)cc1
InChIInChI=1S/C21H14ClF2N3O3/c1-29-14-6-2-12(3-7-14)16-10-17-19(26-18(22)11-25-17)27(20(16)28)13-4-8-15(9-5-13)30-21(23)24/h2-11,21H,1H3
InChIKeyKINLDNDRPISARG-UHFFFAOYSA-N
XLogP4.71
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.81
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[4-(difluoromethoxy)phenyl]-7-(4-methoxyphenyl)pyrido[2,3-b]pyrazin-6-one?
The IUPAC name of 3-chloro-5-[4-(difluoromethoxy)phenyl]-7-(4-methoxyphenyl)pyrido[2,3-b]pyrazin-6-one (CID 155343664) is 3-chloro-5-[4-(difluoromethoxy)phenyl]-7-(4-methoxyphenyl)pyrido[2,3-b]pyrazin-6-one.
What is the SMILES notation for 3-chloro-5-[4-(difluoromethoxy)phenyl]-7-(4-methoxyphenyl)pyrido[2,3-b]pyrazin-6-one?
The canonical SMILES for 3-chloro-5-[4-(difluoromethoxy)phenyl]-7-(4-methoxyphenyl)pyrido[2,3-b]pyrazin-6-one is COc1ccc(-c2cc3ncc(Cl)nc3n(-c3ccc(OC(F)F)cc3)c2=O)cc1.
What is the InChIKey of 3-chloro-5-[4-(difluoromethoxy)phenyl]-7-(4-methoxyphenyl)pyrido[2,3-b]pyrazin-6-one?
The InChIKey is KINLDNDRPISARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClF2N3O3/c1-29-14-6-2-12(3-7-14)16-10-17-19(26-18(22)11-25-17)27(20(16)28)13-4-8-15(9-5-13)30-21(23)24/h2-11,21H,1H3.
What are the key properties of 3-chloro-5-[4-(difluoromethoxy)phenyl]-7-(4-methoxyphenyl)pyrido[2,3-b]pyrazin-6-one?
3-chloro-5-[4-(difluoromethoxy)phenyl]-7-(4-methoxyphenyl)pyrido[2,3-b]pyrazin-6-one has a molecular weight of 429.81 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[4-(difluoromethoxy)phenyl]-7-(4-methoxyphenyl)pyrido[2,3-b]pyrazin-6-one is sourced from PubChem (CID 155343664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).