4-(2-bromo-4-propan-2-ylphenyl)-8-[ethyl(furan-2-ylmethyl)amino]-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one

C24H27BrN4O2 — CID 11363701

IUPAC4-(2-bromo-4-propan-2-ylphenyl)-8-[ethyl(furan-2-ylmethyl)amino]-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one
SMILESCCN(Cc1ccco1)c1cc(C)nc2c1NC(=O)CN2c1ccc(C(C)C)cc1Br
InChIInChI=1S/C24H27BrN4O2/c1-5-28(13-18-7-6-10-31-18)21-11-16(4)26-24-23(21)27-22(30)14-29(24)20-9-8-17(15(2)3)12-19(20)25/h6-12,15H,5,13-14H2,1-4H3,(H,27,30)
InChIKeyNYZRYJPGNDZZEO-UHFFFAOYSA-N
MW483.41 g/mol
LogP5.99
Rot. Bonds6

About 4-(2-bromo-4-propan-2-ylphenyl)-8-[ethyl(furan-2-ylmethyl)amino]-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one

4-(2-bromo-4-propan-2-ylphenyl)-8-[ethyl(furan-2-ylmethyl)amino]-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one (PubChem CID 11363701) has the molecular formula C24H27BrN4O2 and a molecular weight of 483.41 g/mol. Its IUPAC name is 4-(2-bromo-4-propan-2-ylphenyl)-8-[ethyl(furan-2-ylmethyl)amino]-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one.

Molecular Properties

Compound Name4-(2-bromo-4-propan-2-ylphenyl)-8-[ethyl(furan-2-ylmethyl)amino]-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one
PubChem CID11363701
Molecular FormulaC24H27BrN4O2
Molecular Weight483.41 g/mol
Exact Mass482.13
IUPAC Name4-(2-bromo-4-propan-2-ylphenyl)-8-[ethyl(furan-2-ylmethyl)amino]-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one
SMILESCCN(Cc1ccco1)c1cc(C)nc2c1NC(=O)CN2c1ccc(C(C)C)cc1Br
InChIInChI=1S/C24H27BrN4O2/c1-5-28(13-18-7-6-10-31-18)21-11-16(4)26-24-23(21)27-22(30)14-29(24)20-9-8-17(15(2)3)12-19(20)25/h6-12,15H,5,13-14H2,1-4H3,(H,27,30)
InChIKeyNYZRYJPGNDZZEO-UHFFFAOYSA-N
XLogP5.99
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.41
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4-propan-2-ylphenyl)-8-[ethyl(furan-2-ylmethyl)amino]-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
The IUPAC name of 4-(2-bromo-4-propan-2-ylphenyl)-8-[ethyl(furan-2-ylmethyl)amino]-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one (CID 11363701) is 4-(2-bromo-4-propan-2-ylphenyl)-8-[ethyl(furan-2-ylmethyl)amino]-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one.
What is the SMILES notation for 4-(2-bromo-4-propan-2-ylphenyl)-8-[ethyl(furan-2-ylmethyl)amino]-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
The canonical SMILES for 4-(2-bromo-4-propan-2-ylphenyl)-8-[ethyl(furan-2-ylmethyl)amino]-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one is CCN(Cc1ccco1)c1cc(C)nc2c1NC(=O)CN2c1ccc(C(C)C)cc1Br.
What is the InChIKey of 4-(2-bromo-4-propan-2-ylphenyl)-8-[ethyl(furan-2-ylmethyl)amino]-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
The InChIKey is NYZRYJPGNDZZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27BrN4O2/c1-5-28(13-18-7-6-10-31-18)21-11-16(4)26-24-23(21)27-22(30)14-29(24)20-9-8-17(15(2)3)12-19(20)25/h6-12,15H,5,13-14H2,1-4H3,(H,27,30).
What are the key properties of 4-(2-bromo-4-propan-2-ylphenyl)-8-[ethyl(furan-2-ylmethyl)amino]-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
4-(2-bromo-4-propan-2-ylphenyl)-8-[ethyl(furan-2-ylmethyl)amino]-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one has a molecular weight of 483.41 g/mol, XLogP of 5.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-4-propan-2-ylphenyl)-8-[ethyl(furan-2-ylmethyl)amino]-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one is sourced from PubChem (CID 11363701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).