N-(3,5-dimethoxy-2-prop-1-en-2-ylphenyl)-N-(2-methylsulfonylethyl)-3-[1-(2-methylsulfonylethyl)pyrazol-4-yl]pyrido[2,3-b]pyrazin-6-amine

C27H32N6O6S2 — CID 123940774

IUPACN-(3,5-dimethoxy-2-prop-1-en-2-ylphenyl)-N-(2-methylsulfonylethyl)-3-[1-(2-methylsulfonylethyl)pyrazol-4-yl]pyrido[2,3-b]pyrazin-6-amine
SMILESC=C(C)c1c(OC)cc(OC)cc1N(CCS(C)(=O)=O)c1ccc2ncc(-c3cnn(CCS(C)(=O)=O)c3)nc2n1
InChIInChI=1S/C27H32N6O6S2/c1-18(2)26-23(13-20(38-3)14-24(26)39-4)33(10-12-41(6,36)37)25-8-7-21-27(31-25)30-22(16-28-21)19-15-29-32(17-19)9-11-40(5,34)35/h7-8,13-17H,1,9-12H2,2-6H3
InChIKeyLXMOGJJVKWVFJD-UHFFFAOYSA-N
MW600.72 g/mol
LogP3.17
Rot. Bonds12

About N-(3,5-dimethoxy-2-prop-1-en-2-ylphenyl)-N-(2-methylsulfonylethyl)-3-[1-(2-methylsulfonylethyl)pyrazol-4-yl]pyrido[2,3-b]pyrazin-6-amine

N-(3,5-dimethoxy-2-prop-1-en-2-ylphenyl)-N-(2-methylsulfonylethyl)-3-[1-(2-methylsulfonylethyl)pyrazol-4-yl]pyrido[2,3-b]pyrazin-6-amine (PubChem CID 123940774) has the molecular formula C27H32N6O6S2 and a molecular weight of 600.72 g/mol. Its IUPAC name is N-(3,5-dimethoxy-2-prop-1-en-2-ylphenyl)-N-(2-methylsulfonylethyl)-3-[1-(2-methylsulfonylethyl)pyrazol-4-yl]pyrido[2,3-b]pyrazin-6-amine.

Molecular Properties

Compound NameN-(3,5-dimethoxy-2-prop-1-en-2-ylphenyl)-N-(2-methylsulfonylethyl)-3-[1-(2-methylsulfonylethyl)pyrazol-4-yl]pyrido[2,3-b]pyrazin-6-amine
PubChem CID123940774
Molecular FormulaC27H32N6O6S2
Molecular Weight600.72 g/mol
Exact Mass600.18
IUPAC NameN-(3,5-dimethoxy-2-prop-1-en-2-ylphenyl)-N-(2-methylsulfonylethyl)-3-[1-(2-methylsulfonylethyl)pyrazol-4-yl]pyrido[2,3-b]pyrazin-6-amine
SMILESC=C(C)c1c(OC)cc(OC)cc1N(CCS(C)(=O)=O)c1ccc2ncc(-c3cnn(CCS(C)(=O)=O)c3)nc2n1
InChIInChI=1S/C27H32N6O6S2/c1-18(2)26-23(13-20(38-3)14-24(26)39-4)33(10-12-41(6,36)37)25-8-7-21-27(31-25)30-22(16-28-21)19-15-29-32(17-19)9-11-40(5,34)35/h7-8,13-17H,1,9-12H2,2-6H3
InChIKeyLXMOGJJVKWVFJD-UHFFFAOYSA-N
XLogP3.17
TPSA146.47 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.72
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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Related Compounds

N-(2-fluoro-3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-propan-2-yloxypropyl)pyrido[2,3-b]pyrazin-6-amine
CID 135157504
2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]-2-phosphanylanilino)-1-(1-methylpyrazol-4-yl)ethanol
CID 135161071
N-(2-fluoro-3,5-dimethoxyphenyl)-N-[(1-methylimidazol-4-yl)methyl]-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine
CID 135160876
2-[(2-fluoro-N-[3-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]pyrido[2,3-b]pyrazin-6-yl]-3,5-dimethoxyanilino)methyl]imidazole-1-sulfinic acid
CID 135160810
N-(2-fluoro-3,5-dimethoxyphenyl)-N-(4H-imidazol-2-ylmethyl)-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine
CID 147127291
N-(2-chloro-3,5-dimethoxyphenyl)-N-[[1-[dimethylamino(dihydroxy)-λ4-sulfanyl]imidazol-2-yl]methyl]-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine
CID 123549257
N-[(5-ethyl-1H-imidazol-2-yl)methyl]-N-(2-fluoro-3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine
CID 135161046
4-[(2-fluoro-3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]anilino)methyl]-N,N,5-trimethylimidazole-1-sulfinamide
CID 135160759
N-(3-ethyl-2-fluoro-5-methoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[(1-methylpyrazol-3-yl)methyl]pyrido[2,3-b]pyrazin-6-amine
CID 135160908
N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3H-1,2,4-triazol-5-ylmethyl)pyrido[2,3-b]pyrazin-6-amine
CID 147778138
5-[(3-ethyl-2-fluoro-5-methoxy-N-[3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]anilino)methyl]-1-methylpyrrolidin-2-one
CID 135160885
3-(3,5-dimethoxy-N-[3-[1-(2-methylsulfonylethyl)pyrazol-4-yl]quinoxalin-6-yl]anilino)propan-1-ol;N-(3,5-dimethoxyphenyl)-3-(1H-pyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine;methane;2-[3-methoxy-5-[[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-(3-pyrrolidin-1-ylpropyl)amino]phenoxy]ethanol
CID 165096159

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxy-2-prop-1-en-2-ylphenyl)-N-(2-methylsulfonylethyl)-3-[1-(2-methylsulfonylethyl)pyrazol-4-yl]pyrido[2,3-b]pyrazin-6-amine?
The IUPAC name of N-(3,5-dimethoxy-2-prop-1-en-2-ylphenyl)-N-(2-methylsulfonylethyl)-3-[1-(2-methylsulfonylethyl)pyrazol-4-yl]pyrido[2,3-b]pyrazin-6-amine (CID 123940774) is N-(3,5-dimethoxy-2-prop-1-en-2-ylphenyl)-N-(2-methylsulfonylethyl)-3-[1-(2-methylsulfonylethyl)pyrazol-4-yl]pyrido[2,3-b]pyrazin-6-amine.
What is the SMILES notation for N-(3,5-dimethoxy-2-prop-1-en-2-ylphenyl)-N-(2-methylsulfonylethyl)-3-[1-(2-methylsulfonylethyl)pyrazol-4-yl]pyrido[2,3-b]pyrazin-6-amine?
The canonical SMILES for N-(3,5-dimethoxy-2-prop-1-en-2-ylphenyl)-N-(2-methylsulfonylethyl)-3-[1-(2-methylsulfonylethyl)pyrazol-4-yl]pyrido[2,3-b]pyrazin-6-amine is C=C(C)c1c(OC)cc(OC)cc1N(CCS(C)(=O)=O)c1ccc2ncc(-c3cnn(CCS(C)(=O)=O)c3)nc2n1.
What is the InChIKey of N-(3,5-dimethoxy-2-prop-1-en-2-ylphenyl)-N-(2-methylsulfonylethyl)-3-[1-(2-methylsulfonylethyl)pyrazol-4-yl]pyrido[2,3-b]pyrazin-6-amine?
The InChIKey is LXMOGJJVKWVFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N6O6S2/c1-18(2)26-23(13-20(38-3)14-24(26)39-4)33(10-12-41(6,36)37)25-8-7-21-27(31-25)30-22(16-28-21)19-15-29-32(17-19)9-11-40(5,34)35/h7-8,13-17H,1,9-12H2,2-6H3.
What are the key properties of N-(3,5-dimethoxy-2-prop-1-en-2-ylphenyl)-N-(2-methylsulfonylethyl)-3-[1-(2-methylsulfonylethyl)pyrazol-4-yl]pyrido[2,3-b]pyrazin-6-amine?
N-(3,5-dimethoxy-2-prop-1-en-2-ylphenyl)-N-(2-methylsulfonylethyl)-3-[1-(2-methylsulfonylethyl)pyrazol-4-yl]pyrido[2,3-b]pyrazin-6-amine has a molecular weight of 600.72 g/mol, XLogP of 3.17, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxy-2-prop-1-en-2-ylphenyl)-N-(2-methylsulfonylethyl)-3-[1-(2-methylsulfonylethyl)pyrazol-4-yl]pyrido[2,3-b]pyrazin-6-amine is sourced from PubChem (CID 123940774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).