4-(dicyclopropylmethyl)-8-(4-methoxy-2-methylphenyl)-2-methylpyrido[2,3-b]pyrazin-3-one

C23H25N3O2 — CID 70684210

IUPAC4-(dicyclopropylmethyl)-8-(4-methoxy-2-methylphenyl)-2-methylpyrido[2,3-b]pyrazin-3-one
SMILESCOc1ccc(-c2ccnc3c2nc(C)c(=O)n3C(C2CC2)C2CC2)c(C)c1
InChIInChI=1S/C23H25N3O2/c1-13-12-17(28-3)8-9-18(13)19-10-11-24-22-20(19)25-14(2)23(27)26(22)21(15-4-5-15)16-6-7-16/h8-12,15-16,21H,4-7H2,1-3H3
InChIKeyHMIZAWPUXCDKHY-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.45
Rot. Bonds5

About 4-(dicyclopropylmethyl)-8-(4-methoxy-2-methylphenyl)-2-methylpyrido[2,3-b]pyrazin-3-one

4-(dicyclopropylmethyl)-8-(4-methoxy-2-methylphenyl)-2-methylpyrido[2,3-b]pyrazin-3-one (PubChem CID 70684210) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 4-(dicyclopropylmethyl)-8-(4-methoxy-2-methylphenyl)-2-methylpyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name4-(dicyclopropylmethyl)-8-(4-methoxy-2-methylphenyl)-2-methylpyrido[2,3-b]pyrazin-3-one
PubChem CID70684210
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name4-(dicyclopropylmethyl)-8-(4-methoxy-2-methylphenyl)-2-methylpyrido[2,3-b]pyrazin-3-one
SMILESCOc1ccc(-c2ccnc3c2nc(C)c(=O)n3C(C2CC2)C2CC2)c(C)c1
InChIInChI=1S/C23H25N3O2/c1-13-12-17(28-3)8-9-18(13)19-10-11-24-22-20(19)25-14(2)23(27)26(22)21(15-4-5-15)16-6-7-16/h8-12,15-16,21H,4-7H2,1-3H3
InChIKeyHMIZAWPUXCDKHY-UHFFFAOYSA-N
XLogP4.45
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(dicyclopropylmethyl)-8-(4-methoxy-2-methylphenyl)-2-methylpyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 4-(dicyclopropylmethyl)-8-(4-methoxy-2-methylphenyl)-2-methylpyrido[2,3-b]pyrazin-3-one (CID 70684210) is 4-(dicyclopropylmethyl)-8-(4-methoxy-2-methylphenyl)-2-methylpyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 4-(dicyclopropylmethyl)-8-(4-methoxy-2-methylphenyl)-2-methylpyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 4-(dicyclopropylmethyl)-8-(4-methoxy-2-methylphenyl)-2-methylpyrido[2,3-b]pyrazin-3-one is COc1ccc(-c2ccnc3c2nc(C)c(=O)n3C(C2CC2)C2CC2)c(C)c1.
What is the InChIKey of 4-(dicyclopropylmethyl)-8-(4-methoxy-2-methylphenyl)-2-methylpyrido[2,3-b]pyrazin-3-one?
The InChIKey is HMIZAWPUXCDKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-13-12-17(28-3)8-9-18(13)19-10-11-24-22-20(19)25-14(2)23(27)26(22)21(15-4-5-15)16-6-7-16/h8-12,15-16,21H,4-7H2,1-3H3.
What are the key properties of 4-(dicyclopropylmethyl)-8-(4-methoxy-2-methylphenyl)-2-methylpyrido[2,3-b]pyrazin-3-one?
4-(dicyclopropylmethyl)-8-(4-methoxy-2-methylphenyl)-2-methylpyrido[2,3-b]pyrazin-3-one has a molecular weight of 375.47 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dicyclopropylmethyl)-8-(4-methoxy-2-methylphenyl)-2-methylpyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 70684210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).