4-(3-cyclopentyloxy-4-methoxyphenyl)-2-methylpyrido[2,3-b]pyrazin-3-one

C20H21N3O3 — CID 22724219

IUPAC4-(3-cyclopentyloxy-4-methoxyphenyl)-2-methylpyrido[2,3-b]pyrazin-3-one
SMILESCOc1ccc(-n2c(=O)c(C)nc3cccnc32)cc1OC1CCCC1
InChIInChI=1S/C20H21N3O3/c1-13-20(24)23(19-16(22-13)8-5-11-21-19)14-9-10-17(25-2)18(12-14)26-15-6-3-4-7-15/h5,8-12,15H,3-4,6-7H2,1-2H3
InChIKeyHCHUUXHYRNFEKZ-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.42
Rot. Bonds4

About 4-(3-cyclopentyloxy-4-methoxyphenyl)-2-methylpyrido[2,3-b]pyrazin-3-one

4-(3-cyclopentyloxy-4-methoxyphenyl)-2-methylpyrido[2,3-b]pyrazin-3-one (PubChem CID 22724219) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 4-(3-cyclopentyloxy-4-methoxyphenyl)-2-methylpyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name4-(3-cyclopentyloxy-4-methoxyphenyl)-2-methylpyrido[2,3-b]pyrazin-3-one
PubChem CID22724219
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name4-(3-cyclopentyloxy-4-methoxyphenyl)-2-methylpyrido[2,3-b]pyrazin-3-one
SMILESCOc1ccc(-n2c(=O)c(C)nc3cccnc32)cc1OC1CCCC1
InChIInChI=1S/C20H21N3O3/c1-13-20(24)23(19-16(22-13)8-5-11-21-19)14-9-10-17(25-2)18(12-14)26-15-6-3-4-7-15/h5,8-12,15H,3-4,6-7H2,1-2H3
InChIKeyHCHUUXHYRNFEKZ-UHFFFAOYSA-N
XLogP3.42
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopentyloxy-4-methoxyphenyl)-2-methylpyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 4-(3-cyclopentyloxy-4-methoxyphenyl)-2-methylpyrido[2,3-b]pyrazin-3-one (CID 22724219) is 4-(3-cyclopentyloxy-4-methoxyphenyl)-2-methylpyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 4-(3-cyclopentyloxy-4-methoxyphenyl)-2-methylpyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 4-(3-cyclopentyloxy-4-methoxyphenyl)-2-methylpyrido[2,3-b]pyrazin-3-one is COc1ccc(-n2c(=O)c(C)nc3cccnc32)cc1OC1CCCC1.
What is the InChIKey of 4-(3-cyclopentyloxy-4-methoxyphenyl)-2-methylpyrido[2,3-b]pyrazin-3-one?
The InChIKey is HCHUUXHYRNFEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-13-20(24)23(19-16(22-13)8-5-11-21-19)14-9-10-17(25-2)18(12-14)26-15-6-3-4-7-15/h5,8-12,15H,3-4,6-7H2,1-2H3.
What are the key properties of 4-(3-cyclopentyloxy-4-methoxyphenyl)-2-methylpyrido[2,3-b]pyrazin-3-one?
4-(3-cyclopentyloxy-4-methoxyphenyl)-2-methylpyrido[2,3-b]pyrazin-3-one has a molecular weight of 351.41 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopentyloxy-4-methoxyphenyl)-2-methylpyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 22724219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).