4-[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]-8-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one

C22H21N3O4 — CID 126768338

IUPAC4-[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]-8-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one
SMILESCc1ccc(OCc2ccc(C(=O)N3CC(=O)Nc4c(C)ccnc43)o2)c(C)c1
InChIInChI=1S/C22H21N3O4/c1-13-4-6-17(15(3)10-13)28-12-16-5-7-18(29-16)22(27)25-11-19(26)24-20-14(2)8-9-23-21(20)25/h4-10H,11-12H2,1-3H3,(H,24,26)
InChIKeyNSRSWWZVBQKULY-UHFFFAOYSA-N
MW391.43 g/mol
LogP3.78
Rot. Bonds4

About 4-[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]-8-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one

4-[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]-8-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one (PubChem CID 126768338) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is 4-[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]-8-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one.

Molecular Properties

Compound Name4-[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]-8-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one
PubChem CID126768338
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC Name4-[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]-8-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one
SMILESCc1ccc(OCc2ccc(C(=O)N3CC(=O)Nc4c(C)ccnc43)o2)c(C)c1
InChIInChI=1S/C22H21N3O4/c1-13-4-6-17(15(3)10-13)28-12-16-5-7-18(29-16)22(27)25-11-19(26)24-20-14(2)8-9-23-21(20)25/h4-10H,11-12H2,1-3H3,(H,24,26)
InChIKeyNSRSWWZVBQKULY-UHFFFAOYSA-N
XLogP3.78
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]-8-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
The IUPAC name of 4-[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]-8-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one (CID 126768338) is 4-[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]-8-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one.
What is the SMILES notation for 4-[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]-8-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
The canonical SMILES for 4-[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]-8-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one is Cc1ccc(OCc2ccc(C(=O)N3CC(=O)Nc4c(C)ccnc43)o2)c(C)c1.
What is the InChIKey of 4-[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]-8-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
The InChIKey is NSRSWWZVBQKULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4/c1-13-4-6-17(15(3)10-13)28-12-16-5-7-18(29-16)22(27)25-11-19(26)24-20-14(2)8-9-23-21(20)25/h4-10H,11-12H2,1-3H3,(H,24,26).
What are the key properties of 4-[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]-8-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
4-[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]-8-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one has a molecular weight of 391.43 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]-8-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one is sourced from PubChem (CID 126768338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).