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

C25H25FN8O2 — CID 135161046

IUPACN-[(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
SMILESCCc1cnc(CN(c2ccc3ncc(-c4cnn(C)c4)nc3n2)c2cc(OC)cc(OC)c2F)[nH]1
InChIInChI=1S/C25H25FN8O2/c1-5-16-11-28-22(30-16)14-34(20-8-17(35-3)9-21(36-4)24(20)26)23-7-6-18-25(32-23)31-19(12-27-18)15-10-29-33(2)13-15/h6-13H,5,14H2,1-4H3,(H,28,30)
InChIKeyXXEFIEPEBOJRCV-UHFFFAOYSA-N
MW488.53 g/mol
LogP4.21
Rot. Bonds8

About 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

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 (PubChem CID 135161046) has the molecular formula C25H25FN8O2 and a molecular weight of 488.53 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID135161046
Molecular FormulaC25H25FN8O2
Molecular Weight488.53 g/mol
Exact Mass488.21
IUPAC NameN-[(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
SMILESCCc1cnc(CN(c2ccc3ncc(-c4cnn(C)c4)nc3n2)c2cc(OC)cc(OC)c2F)[nH]1
InChIInChI=1S/C25H25FN8O2/c1-5-16-11-28-22(30-16)14-34(20-8-17(35-3)9-21(36-4)24(20)26)23-7-6-18-25(32-23)31-19(12-27-18)15-10-29-33(2)13-15/h6-13H,5,14H2,1-4H3,(H,28,30)
InChIKeyXXEFIEPEBOJRCV-UHFFFAOYSA-N
XLogP4.21
TPSA106.87 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.53
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

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
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-fluoro-3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-propan-2-yloxypropyl)pyrido[2,3-b]pyrazin-6-amine
CID 135157504
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
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
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
N-(2-fluoro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-N-[[(2R)-pyrrolidin-2-yl]methyl]pteridin-2-amine
CID 138593253
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
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-[tert-butyl(dimethyl)silyl]oxyethyl]-N-(2,6-difluoro-3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine
CID 123655385
N'-(2-fluoro-3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylpropane-1,3-diamine
CID 126735620

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCc1cnc(CN(c2ccc3ncc(-c4cnn(C)c4)nc3n2)c2cc(OC)cc(OC)c2F)[nH]1.
What is the InChIKey of 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?
The InChIKey is XXEFIEPEBOJRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN8O2/c1-5-16-11-28-22(30-16)14-34(20-8-17(35-3)9-21(36-4)24(20)26)23-7-6-18-25(32-23)31-19(12-27-18)15-10-29-33(2)13-15/h6-13H,5,14H2,1-4H3,(H,28,30).
What are the key properties of 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?
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 has a molecular weight of 488.53 g/mol, XLogP of 4.21, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 135161046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).