5-[[6-[4-(2,6-difluoro-3,5-dimethoxyphenyl)butan-2-ylidene]-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-5-yl]methyl]pyrrolidin-2-one

C28H30F2N6O3 — CID 123860893

IUPAC5-[[6-[4-(2,6-difluoro-3,5-dimethoxyphenyl)butan-2-ylidene]-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-5-yl]methyl]pyrrolidin-2-one
SMILESCOc1cc(OC)c(F)c(CCC(C)=C2C=Cc3ncc(-c4cnn(C)c4)nc3N2CC2CCC(=O)N2)c1F
InChIInChI=1S/C28H30F2N6O3/c1-16(5-7-19-26(29)23(38-3)11-24(39-4)27(19)30)22-9-8-20-28(36(22)15-18-6-10-25(37)33-18)34-21(13-31-20)17-12-32-35(2)14-17/h8-9,11-14,18H,5-7,10,15H2,1-4H3,(H,33,37)
InChIKeySSUHUKWKPBXFQH-UHFFFAOYSA-N
MW536.58 g/mol
LogP4.19
Rot. Bonds8

About 5-[[6-[4-(2,6-difluoro-3,5-dimethoxyphenyl)butan-2-ylidene]-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-5-yl]methyl]pyrrolidin-2-one

5-[[6-[4-(2,6-difluoro-3,5-dimethoxyphenyl)butan-2-ylidene]-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-5-yl]methyl]pyrrolidin-2-one (PubChem CID 123860893) has the molecular formula C28H30F2N6O3 and a molecular weight of 536.58 g/mol. Its IUPAC name is 5-[[6-[4-(2,6-difluoro-3,5-dimethoxyphenyl)butan-2-ylidene]-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-5-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[[6-[4-(2,6-difluoro-3,5-dimethoxyphenyl)butan-2-ylidene]-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-5-yl]methyl]pyrrolidin-2-one
PubChem CID123860893
Molecular FormulaC28H30F2N6O3
Molecular Weight536.58 g/mol
Exact Mass536.23
IUPAC Name5-[[6-[4-(2,6-difluoro-3,5-dimethoxyphenyl)butan-2-ylidene]-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-5-yl]methyl]pyrrolidin-2-one
SMILESCOc1cc(OC)c(F)c(CCC(C)=C2C=Cc3ncc(-c4cnn(C)c4)nc3N2CC2CCC(=O)N2)c1F
InChIInChI=1S/C28H30F2N6O3/c1-16(5-7-19-26(29)23(38-3)11-24(39-4)27(19)30)22-9-8-20-28(36(22)15-18-6-10-25(37)33-18)34-21(13-31-20)17-12-32-35(2)14-17/h8-9,11-14,18H,5-7,10,15H2,1-4H3,(H,33,37)
InChIKeySSUHUKWKPBXFQH-UHFFFAOYSA-N
XLogP4.19
TPSA94.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.58
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[[6-[4-(2,6-difluoro-3,5-dimethoxyphenyl)butan-2-ylidene]-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-5-yl]methyl]pyrrolidin-2-one with MolForge

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Related Compounds

(2R)-2-(3,5-dimethoxyphenyl)-1-[(2S)-7-methyl-6-(1-methylpyrazol-4-yl)spiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one
CID 166585475
N-((1-(3,5-Dimethoxybenzyl)-1H-1,2,3-triazol-4-yl)methyl)-2-(4-fluorophenylamino)nicotinamide
CID 90681009
(3S)-1-[2-[(1,3-dimethylpyrazol-4-yl)amino]pyridin-4-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 141488410
5-[(2,6-difluoro-3,5-dimethoxy-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]anilino)methyl]pyrrolidin-2-one
CID 89534029
(3R)-1-[2-[(1,3-dimethylpyrazol-4-yl)amino]-4-pyridinyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 141488417
1-((6-(1H-pyrazol-1-yl)pyridin-2-yl)methyl)-6-(2,6-dimethoxyphenyl)piperidin-2-one
CID 69082861
1-((6-(1H-pyrazol-1-yl)pyridin-2-yl)methyl)-5-(2,6-dimethoxyphenyl)-3-methylpyrrolidin-2-one
CID 69085718
5-[(2-fluoro-3,5-dimethoxy-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]anilino)methyl]-1-methylpyrrolidin-2-one
CID 71558731
5-[(2-fluoro-3,5-dimethoxy-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]anilino)methyl]pyrrolidin-2-one
CID 71559039
(5S)-5-[(2-fluoro-3,5-dimethoxy-N-[7-(1-methylpyrazol-4-yl)pteridin-2-yl]anilino)methyl]pyrrolidin-2-one
CID 72202471
(5S)-5-[(2,6-difluoro-3,5-dimethoxy-N-[7-(1-methylpyrazol-4-yl)pteridin-2-yl]anilino)methyl]pyrrolidin-2-one
CID 72550311
US9745311, Example 87
CID 73054515

Frequently Asked Questions

What is the IUPAC name of 5-[[6-[4-(2,6-difluoro-3,5-dimethoxyphenyl)butan-2-ylidene]-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-5-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 5-[[6-[4-(2,6-difluoro-3,5-dimethoxyphenyl)butan-2-ylidene]-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-5-yl]methyl]pyrrolidin-2-one (CID 123860893) is 5-[[6-[4-(2,6-difluoro-3,5-dimethoxyphenyl)butan-2-ylidene]-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-5-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[[6-[4-(2,6-difluoro-3,5-dimethoxyphenyl)butan-2-ylidene]-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-5-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[[6-[4-(2,6-difluoro-3,5-dimethoxyphenyl)butan-2-ylidene]-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-5-yl]methyl]pyrrolidin-2-one is COc1cc(OC)c(F)c(CCC(C)=C2C=Cc3ncc(-c4cnn(C)c4)nc3N2CC2CCC(=O)N2)c1F.
What is the InChIKey of 5-[[6-[4-(2,6-difluoro-3,5-dimethoxyphenyl)butan-2-ylidene]-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-5-yl]methyl]pyrrolidin-2-one?
The InChIKey is SSUHUKWKPBXFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30F2N6O3/c1-16(5-7-19-26(29)23(38-3)11-24(39-4)27(19)30)22-9-8-20-28(36(22)15-18-6-10-25(37)33-18)34-21(13-31-20)17-12-32-35(2)14-17/h8-9,11-14,18H,5-7,10,15H2,1-4H3,(H,33,37).
What are the key properties of 5-[[6-[4-(2,6-difluoro-3,5-dimethoxyphenyl)butan-2-ylidene]-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-5-yl]methyl]pyrrolidin-2-one?
5-[[6-[4-(2,6-difluoro-3,5-dimethoxyphenyl)butan-2-ylidene]-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-5-yl]methyl]pyrrolidin-2-one has a molecular weight of 536.58 g/mol, XLogP of 4.19, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-[4-(2,6-difluoro-3,5-dimethoxyphenyl)butan-2-ylidene]-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-5-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 123860893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).