1-[(1R)-1-cyclopropylpropyl]-5-(2,4-dichlorophenyl)-3-methylpyrido[3,4-b]pyrazin-2-one

C20H19Cl2N3O — CID 10385581

IUPAC1-[(1R)-1-cyclopropylpropyl]-5-(2,4-dichlorophenyl)-3-methylpyrido[3,4-b]pyrazin-2-one
SMILESCC[C@H](C1CC1)n1c(=O)c(C)nc2c(-c3ccc(Cl)cc3Cl)nccc21
InChIInChI=1S/C20H19Cl2N3O/c1-3-16(12-4-5-12)25-17-8-9-23-18(19(17)24-11(2)20(25)26)14-7-6-13(21)10-15(14)22/h6-10,12,16H,3-5H2,1-2H3/t16-/m1/s1
InChIKeyOLMXSXAZHPWBDC-MRXNPFEDSA-N
MW388.30 g/mol
LogP5.43
Rot. Bonds4

About 1-[(1R)-1-cyclopropylpropyl]-5-(2,4-dichlorophenyl)-3-methylpyrido[3,4-b]pyrazin-2-one

1-[(1R)-1-cyclopropylpropyl]-5-(2,4-dichlorophenyl)-3-methylpyrido[3,4-b]pyrazin-2-one (PubChem CID 10385581) has the molecular formula C20H19Cl2N3O and a molecular weight of 388.30 g/mol. Its IUPAC name is 1-[(1R)-1-cyclopropylpropyl]-5-(2,4-dichlorophenyl)-3-methylpyrido[3,4-b]pyrazin-2-one.

Molecular Properties

Compound Name1-[(1R)-1-cyclopropylpropyl]-5-(2,4-dichlorophenyl)-3-methylpyrido[3,4-b]pyrazin-2-one
PubChem CID10385581
Molecular FormulaC20H19Cl2N3O
Molecular Weight388.30 g/mol
Exact Mass387.09
IUPAC Name1-[(1R)-1-cyclopropylpropyl]-5-(2,4-dichlorophenyl)-3-methylpyrido[3,4-b]pyrazin-2-one
SMILESCC[C@H](C1CC1)n1c(=O)c(C)nc2c(-c3ccc(Cl)cc3Cl)nccc21
InChIInChI=1S/C20H19Cl2N3O/c1-3-16(12-4-5-12)25-17-8-9-23-18(19(17)24-11(2)20(25)26)14-7-6-13(21)10-15(14)22/h6-10,12,16H,3-5H2,1-2H3/t16-/m1/s1
InChIKeyOLMXSXAZHPWBDC-MRXNPFEDSA-N
XLogP5.43
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.30
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-cyclopropylpropyl]-5-(2,4-dichlorophenyl)-3-methylpyrido[3,4-b]pyrazin-2-one?
The IUPAC name of 1-[(1R)-1-cyclopropylpropyl]-5-(2,4-dichlorophenyl)-3-methylpyrido[3,4-b]pyrazin-2-one (CID 10385581) is 1-[(1R)-1-cyclopropylpropyl]-5-(2,4-dichlorophenyl)-3-methylpyrido[3,4-b]pyrazin-2-one.
What is the SMILES notation for 1-[(1R)-1-cyclopropylpropyl]-5-(2,4-dichlorophenyl)-3-methylpyrido[3,4-b]pyrazin-2-one?
The canonical SMILES for 1-[(1R)-1-cyclopropylpropyl]-5-(2,4-dichlorophenyl)-3-methylpyrido[3,4-b]pyrazin-2-one is CC[C@H](C1CC1)n1c(=O)c(C)nc2c(-c3ccc(Cl)cc3Cl)nccc21.
What is the InChIKey of 1-[(1R)-1-cyclopropylpropyl]-5-(2,4-dichlorophenyl)-3-methylpyrido[3,4-b]pyrazin-2-one?
The InChIKey is OLMXSXAZHPWBDC-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H19Cl2N3O/c1-3-16(12-4-5-12)25-17-8-9-23-18(19(17)24-11(2)20(25)26)14-7-6-13(21)10-15(14)22/h6-10,12,16H,3-5H2,1-2H3/t16-/m1/s1.
What are the key properties of 1-[(1R)-1-cyclopropylpropyl]-5-(2,4-dichlorophenyl)-3-methylpyrido[3,4-b]pyrazin-2-one?
1-[(1R)-1-cyclopropylpropyl]-5-(2,4-dichlorophenyl)-3-methylpyrido[3,4-b]pyrazin-2-one has a molecular weight of 388.30 g/mol, XLogP of 5.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-cyclopropylpropyl]-5-(2,4-dichlorophenyl)-3-methylpyrido[3,4-b]pyrazin-2-one is sourced from PubChem (CID 10385581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).