4-(2-chloro-5-fluoro-4-methoxyphenyl)-8-[ethyl(propan-2-yl)amino]-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one

C20H24ClFN4O2 — CID 11211931

IUPAC4-(2-chloro-5-fluoro-4-methoxyphenyl)-8-[ethyl(propan-2-yl)amino]-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one
SMILESCCN(c1cc(C)nc2c1NC(=O)CN2c1cc(F)c(OC)cc1Cl)C(C)C
InChIInChI=1S/C20H24ClFN4O2/c1-6-25(11(2)3)16-7-12(4)23-20-19(16)24-18(27)10-26(20)15-9-14(22)17(28-5)8-13(15)21/h7-9,11H,6,10H2,1-5H3,(H,24,27)
InChIKeyDZXRTFDRCBHMEB-UHFFFAOYSA-N
MW406.89 g/mol
LogP4.52
Rot. Bonds5

About 4-(2-chloro-5-fluoro-4-methoxyphenyl)-8-[ethyl(propan-2-yl)amino]-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one

4-(2-chloro-5-fluoro-4-methoxyphenyl)-8-[ethyl(propan-2-yl)amino]-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one (PubChem CID 11211931) has the molecular formula C20H24ClFN4O2 and a molecular weight of 406.89 g/mol. Its IUPAC name is 4-(2-chloro-5-fluoro-4-methoxyphenyl)-8-[ethyl(propan-2-yl)amino]-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one.

Molecular Properties

Compound Name4-(2-chloro-5-fluoro-4-methoxyphenyl)-8-[ethyl(propan-2-yl)amino]-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one
PubChem CID11211931
Molecular FormulaC20H24ClFN4O2
Molecular Weight406.89 g/mol
Exact Mass406.16
IUPAC Name4-(2-chloro-5-fluoro-4-methoxyphenyl)-8-[ethyl(propan-2-yl)amino]-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one
SMILESCCN(c1cc(C)nc2c1NC(=O)CN2c1cc(F)c(OC)cc1Cl)C(C)C
InChIInChI=1S/C20H24ClFN4O2/c1-6-25(11(2)3)16-7-12(4)23-20-19(16)24-18(27)10-26(20)15-9-14(22)17(28-5)8-13(15)21/h7-9,11H,6,10H2,1-5H3,(H,24,27)
InChIKeyDZXRTFDRCBHMEB-UHFFFAOYSA-N
XLogP4.52
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.89
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-5-fluoro-4-methoxyphenyl)-8-[ethyl(propan-2-yl)amino]-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
The IUPAC name of 4-(2-chloro-5-fluoro-4-methoxyphenyl)-8-[ethyl(propan-2-yl)amino]-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one (CID 11211931) is 4-(2-chloro-5-fluoro-4-methoxyphenyl)-8-[ethyl(propan-2-yl)amino]-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one.
What is the SMILES notation for 4-(2-chloro-5-fluoro-4-methoxyphenyl)-8-[ethyl(propan-2-yl)amino]-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
The canonical SMILES for 4-(2-chloro-5-fluoro-4-methoxyphenyl)-8-[ethyl(propan-2-yl)amino]-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one is CCN(c1cc(C)nc2c1NC(=O)CN2c1cc(F)c(OC)cc1Cl)C(C)C.
What is the InChIKey of 4-(2-chloro-5-fluoro-4-methoxyphenyl)-8-[ethyl(propan-2-yl)amino]-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
The InChIKey is DZXRTFDRCBHMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClFN4O2/c1-6-25(11(2)3)16-7-12(4)23-20-19(16)24-18(27)10-26(20)15-9-14(22)17(28-5)8-13(15)21/h7-9,11H,6,10H2,1-5H3,(H,24,27).
What are the key properties of 4-(2-chloro-5-fluoro-4-methoxyphenyl)-8-[ethyl(propan-2-yl)amino]-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
4-(2-chloro-5-fluoro-4-methoxyphenyl)-8-[ethyl(propan-2-yl)amino]-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one has a molecular weight of 406.89 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-5-fluoro-4-methoxyphenyl)-8-[ethyl(propan-2-yl)amino]-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one is sourced from PubChem (CID 11211931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).