4-[(1R)-1-cyclopropylpropyl]-8-(5-fluoro-4-methoxy-2-methylphenyl)-2-methylpyrido[2,3-b]pyrazin-3-one

C22H24FN3O2 — CID 10429933

IUPAC4-[(1R)-1-cyclopropylpropyl]-8-(5-fluoro-4-methoxy-2-methylphenyl)-2-methylpyrido[2,3-b]pyrazin-3-one
SMILESCC[C@H](C1CC1)n1c(=O)c(C)nc2c(-c3cc(F)c(OC)cc3C)ccnc21
InChIInChI=1S/C22H24FN3O2/c1-5-18(14-6-7-14)26-21-20(25-13(3)22(26)27)15(8-9-24-21)16-11-17(23)19(28-4)10-12(16)2/h8-11,14,18H,5-7H2,1-4H3/t18-/m1/s1
InChIKeyAVTCHXMKHPBICP-GOSISDBHSA-N
MW381.45 g/mol
LogP4.58
Rot. Bonds5

About 4-[(1R)-1-cyclopropylpropyl]-8-(5-fluoro-4-methoxy-2-methylphenyl)-2-methylpyrido[2,3-b]pyrazin-3-one

4-[(1R)-1-cyclopropylpropyl]-8-(5-fluoro-4-methoxy-2-methylphenyl)-2-methylpyrido[2,3-b]pyrazin-3-one (PubChem CID 10429933) has the molecular formula C22H24FN3O2 and a molecular weight of 381.45 g/mol. Its IUPAC name is 4-[(1R)-1-cyclopropylpropyl]-8-(5-fluoro-4-methoxy-2-methylphenyl)-2-methylpyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name4-[(1R)-1-cyclopropylpropyl]-8-(5-fluoro-4-methoxy-2-methylphenyl)-2-methylpyrido[2,3-b]pyrazin-3-one
PubChem CID10429933
Molecular FormulaC22H24FN3O2
Molecular Weight381.45 g/mol
Exact Mass381.19
IUPAC Name4-[(1R)-1-cyclopropylpropyl]-8-(5-fluoro-4-methoxy-2-methylphenyl)-2-methylpyrido[2,3-b]pyrazin-3-one
SMILESCC[C@H](C1CC1)n1c(=O)c(C)nc2c(-c3cc(F)c(OC)cc3C)ccnc21
InChIInChI=1S/C22H24FN3O2/c1-5-18(14-6-7-14)26-21-20(25-13(3)22(26)27)15(8-9-24-21)16-11-17(23)19(28-4)10-12(16)2/h8-11,14,18H,5-7H2,1-4H3/t18-/m1/s1
InChIKeyAVTCHXMKHPBICP-GOSISDBHSA-N
XLogP4.58
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[(1R)-1-cyclopropylpropyl]-8-(5-fluoro-4-methoxy-2-methylphenyl)-2-methylpyrido[2,3-b]pyrazin-3-one with MolForge

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Related Compounds

8-(2-Chloro-4-methoxy-5-methylphenyl)-4-(1-cyclopropylpropyl)-2-methylpyrido[2,3-b]pyrazin-3-one
CID 10408534
1-(2-(7-Methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethyl)-4-(pyridine-2-yl)piperazine
CID 10948133
US10155760, Example 12
CID 118420154
US10155760, Example 27
CID 118420285
US10155760, Example 1
CID 118420330
1-[3-(7-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-propyl]-4-pyridin-2-yl-piperazine
CID 10090269
1-[3-(7-Methoxy-3,4-dihydro-naphthalen-1-yl)-propyl]-4-pyridin-2-yl-piperazine
CID 10248164
8-(2-Chloro-5-fluoro-4-methoxyphenyl)-4-(1-methoxybutan-2-yl)-2-methylpyrido[2,3-b]pyrazin-3-one
CID 10069877
4-[(1R)-1-cyclopropylpropyl]-8-(6-methoxy-2-methyl-3-pyridinyl)-2-methylpyrido[2,3-b]pyrazin-3-one
CID 10338811
8-(2-chloro-4-methoxyphenyl)-4-[(1S)-1-cyclopropylpropyl]-2-methylpyrido[2,3-b]pyrazin-3-one
CID 10339953
8-(2-chloro-4-methoxyphenyl)-4-[(1R)-1-cyclopropylpropyl]-2-methylpyrido[2,3-b]pyrazin-3-one
CID 10362573
8-[2-chloro-4-(difluoromethoxy)phenyl]-4-[(1S)-1-cyclopropylpropyl]-2-methylpyrido[2,3-b]pyrazin-3-one
CID 69658040

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-cyclopropylpropyl]-8-(5-fluoro-4-methoxy-2-methylphenyl)-2-methylpyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 4-[(1R)-1-cyclopropylpropyl]-8-(5-fluoro-4-methoxy-2-methylphenyl)-2-methylpyrido[2,3-b]pyrazin-3-one (CID 10429933) is 4-[(1R)-1-cyclopropylpropyl]-8-(5-fluoro-4-methoxy-2-methylphenyl)-2-methylpyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 4-[(1R)-1-cyclopropylpropyl]-8-(5-fluoro-4-methoxy-2-methylphenyl)-2-methylpyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 4-[(1R)-1-cyclopropylpropyl]-8-(5-fluoro-4-methoxy-2-methylphenyl)-2-methylpyrido[2,3-b]pyrazin-3-one is CC[C@H](C1CC1)n1c(=O)c(C)nc2c(-c3cc(F)c(OC)cc3C)ccnc21.
What is the InChIKey of 4-[(1R)-1-cyclopropylpropyl]-8-(5-fluoro-4-methoxy-2-methylphenyl)-2-methylpyrido[2,3-b]pyrazin-3-one?
The InChIKey is AVTCHXMKHPBICP-GOSISDBHSA-N. The full InChI is InChI=1S/C22H24FN3O2/c1-5-18(14-6-7-14)26-21-20(25-13(3)22(26)27)15(8-9-24-21)16-11-17(23)19(28-4)10-12(16)2/h8-11,14,18H,5-7H2,1-4H3/t18-/m1/s1.
What are the key properties of 4-[(1R)-1-cyclopropylpropyl]-8-(5-fluoro-4-methoxy-2-methylphenyl)-2-methylpyrido[2,3-b]pyrazin-3-one?
4-[(1R)-1-cyclopropylpropyl]-8-(5-fluoro-4-methoxy-2-methylphenyl)-2-methylpyrido[2,3-b]pyrazin-3-one has a molecular weight of 381.45 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-cyclopropylpropyl]-8-(5-fluoro-4-methoxy-2-methylphenyl)-2-methylpyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 10429933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).