4-[(1R)-1-cyclopropylpropyl]-8-(6-methoxy-2-methyl-3-pyridinyl)-2-methylpyrido[2,3-b]pyrazin-3-one

C21H24N4O2 — CID 10338811

IUPAC4-[(1R)-1-cyclopropylpropyl]-8-(6-methoxy-2-methyl-3-pyridinyl)-2-methylpyrido[2,3-b]pyrazin-3-one
SMILESCC[C@H](C1CC1)n1c(=O)c(C)nc2c(-c3ccc(OC)nc3C)ccnc21
InChIInChI=1S/C21H24N4O2/c1-5-17(14-6-7-14)25-20-19(24-13(3)21(25)26)16(10-11-22-20)15-8-9-18(27-4)23-12(15)2/h8-11,14,17H,5-7H2,1-4H3/t17-/m1/s1
InChIKeyJYPIVQHHKSVDKP-QGZVFWFLSA-N
MW364.45 g/mol
LogP3.84
Rot. Bonds5

About 4-[(1R)-1-cyclopropylpropyl]-8-(6-methoxy-2-methyl-3-pyridinyl)-2-methylpyrido[2,3-b]pyrazin-3-one

4-[(1R)-1-cyclopropylpropyl]-8-(6-methoxy-2-methyl-3-pyridinyl)-2-methylpyrido[2,3-b]pyrazin-3-one (PubChem CID 10338811) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 4-[(1R)-1-cyclopropylpropyl]-8-(6-methoxy-2-methyl-3-pyridinyl)-2-methylpyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name4-[(1R)-1-cyclopropylpropyl]-8-(6-methoxy-2-methyl-3-pyridinyl)-2-methylpyrido[2,3-b]pyrazin-3-one
PubChem CID10338811
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name4-[(1R)-1-cyclopropylpropyl]-8-(6-methoxy-2-methyl-3-pyridinyl)-2-methylpyrido[2,3-b]pyrazin-3-one
SMILESCC[C@H](C1CC1)n1c(=O)c(C)nc2c(-c3ccc(OC)nc3C)ccnc21
InChIInChI=1S/C21H24N4O2/c1-5-17(14-6-7-14)25-20-19(24-13(3)21(25)26)16(10-11-22-20)15-8-9-18(27-4)23-12(15)2/h8-11,14,17H,5-7H2,1-4H3/t17-/m1/s1
InChIKeyJYPIVQHHKSVDKP-QGZVFWFLSA-N
XLogP3.84
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-cyclopropylpropyl]-8-(6-methoxy-2-methyl-3-pyridinyl)-2-methylpyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 4-[(1R)-1-cyclopropylpropyl]-8-(6-methoxy-2-methyl-3-pyridinyl)-2-methylpyrido[2,3-b]pyrazin-3-one (CID 10338811) is 4-[(1R)-1-cyclopropylpropyl]-8-(6-methoxy-2-methyl-3-pyridinyl)-2-methylpyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 4-[(1R)-1-cyclopropylpropyl]-8-(6-methoxy-2-methyl-3-pyridinyl)-2-methylpyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 4-[(1R)-1-cyclopropylpropyl]-8-(6-methoxy-2-methyl-3-pyridinyl)-2-methylpyrido[2,3-b]pyrazin-3-one is CC[C@H](C1CC1)n1c(=O)c(C)nc2c(-c3ccc(OC)nc3C)ccnc21.
What is the InChIKey of 4-[(1R)-1-cyclopropylpropyl]-8-(6-methoxy-2-methyl-3-pyridinyl)-2-methylpyrido[2,3-b]pyrazin-3-one?
The InChIKey is JYPIVQHHKSVDKP-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-5-17(14-6-7-14)25-20-19(24-13(3)21(25)26)16(10-11-22-20)15-8-9-18(27-4)23-12(15)2/h8-11,14,17H,5-7H2,1-4H3/t17-/m1/s1.
What are the key properties of 4-[(1R)-1-cyclopropylpropyl]-8-(6-methoxy-2-methyl-3-pyridinyl)-2-methylpyrido[2,3-b]pyrazin-3-one?
4-[(1R)-1-cyclopropylpropyl]-8-(6-methoxy-2-methyl-3-pyridinyl)-2-methylpyrido[2,3-b]pyrazin-3-one has a molecular weight of 364.45 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-cyclopropylpropyl]-8-(6-methoxy-2-methyl-3-pyridinyl)-2-methylpyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 10338811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).