1-(2,6-difluoro-3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]anilino)-2-methylpropan-2-ol;1-[6-(2,6-difluoro-3,5-dimethoxyphenyl)imino-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-5-yl]-2-methylpropan-2-ol

C46H48F4N12O6 — CID 159089299

About 1-(2,6-difluoro-3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]anilino)-2-methylpropan-2-ol;1-[6-(2,6-difluoro-3,5-dimethoxyphenyl)imino-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-5-yl]-2-methylpropan-2-ol

1-(2,6-difluoro-3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]anilino)-2-methylpropan-2-ol;1-[6-(2,6-difluoro-3,5-dimethoxyphenyl)imino-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-5-yl]-2-methylpropan-2-ol (PubChem CID 159089299) has the molecular formula C46H48F4N12O6 and a molecular weight of 940.96 g/mol. Its IUPAC name is 1-(2,6-difluoro-3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]anilino)-2-methylpropan-2-ol;1-[6-(2,6-difluoro-3,5-dimethoxyphenyl)imino-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-5-yl]-2-methylpropan-2-ol.

Molecular Properties

• Compound Name: 1-(2,6-difluoro-3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]anilino)-2-methylpropan-2-ol;1-[6-(2,6-difluoro-3,5-dimethoxyphenyl)imino-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-5-yl]-2-methylpropan-2-ol
• PubChem CID: 159089299
• Molecular Formula: C46H48F4N12O6
• Molecular Weight: 940.96 g/mol
• Exact Mass: 940.38
• IUPAC Name: 1-(2,6-difluoro-3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]anilino)-2-methylpropan-2-ol;1-[6-(2,6-difluoro-3,5-dimethoxyphenyl)imino-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-5-yl]-2-methylpropan-2-ol
• SMILES: COc1cc(OC)c(F)c(/N=c2\ccc3ncc(-c4cnn(C)c4)nc3n2CC(C)(C)O)c1F.COc1cc(OC)c(F)c(N(CC(C)(C)O)c2ccc3ncc(-c4cnn(C)c4)nc3n2)c1F
• InChI: InChI=1S/2C23H24F2N6O3/c1-23(2,32)12-31(21-19(24)16(33-4)8-17(34-5)20(21)25)18-7-6-14-22(29-18)28-15(10-26-14)13-9-27-30(3)11-13;1-23(2,32)12-31-18(29-21-19(24)16(33-4)8-17(34-5)20(21)25)7-6-14-22(31)28-15(10-26-14)13-9-27-30(3)11-13/h2*6-11,32H,12H2,1-5H3/b;29-18+
• InChIKey: KBVUZOGAHINBRO-QPNCKONMSA-N
• XLogP: 6.76
• TPSA: 198.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 13
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	940.96
LogP ≤ 5	6.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluoro-3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]anilino)-2-methylpropan-2-ol;1-[6-(2,6-difluoro-3,5-dimethoxyphenyl)imino-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-5-yl]-2-methylpropan-2-ol?

The IUPAC name of 1-(2,6-difluoro-3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]anilino)-2-methylpropan-2-ol;1-[6-(2,6-difluoro-3,5-dimethoxyphenyl)imino-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-5-yl]-2-methylpropan-2-ol (CID 159089299) is 1-(2,6-difluoro-3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]anilino)-2-methylpropan-2-ol;1-[6-(2,6-difluoro-3,5-dimethoxyphenyl)imino-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-5-yl]-2-methylpropan-2-ol.

What is the SMILES notation for 1-(2,6-difluoro-3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]anilino)-2-methylpropan-2-ol;1-[6-(2,6-difluoro-3,5-dimethoxyphenyl)imino-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-5-yl]-2-methylpropan-2-ol?

The canonical SMILES for 1-(2,6-difluoro-3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]anilino)-2-methylpropan-2-ol;1-[6-(2,6-difluoro-3,5-dimethoxyphenyl)imino-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-5-yl]-2-methylpropan-2-ol is COc1cc(OC)c(F)c(/N=c2\ccc3ncc(-c4cnn(C)c4)nc3n2CC(C)(C)O)c1F.COc1cc(OC)c(F)c(N(CC(C)(C)O)c2ccc3ncc(-c4cnn(C)c4)nc3n2)c1F.

What is the InChIKey of 1-(2,6-difluoro-3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]anilino)-2-methylpropan-2-ol;1-[6-(2,6-difluoro-3,5-dimethoxyphenyl)imino-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-5-yl]-2-methylpropan-2-ol?

The InChIKey is KBVUZOGAHINBRO-QPNCKONMSA-N. The full InChI is InChI=1S/2C23H24F2N6O3/c1-23(2,32)12-31(21-19(24)16(33-4)8-17(34-5)20(21)25)18-7-6-14-22(29-18)28-15(10-26-14)13-9-27-30(3)11-13;1-23(2,32)12-31-18(29-21-19(24)16(33-4)8-17(34-5)20(21)25)7-6-14-22(31)28-15(10-26-14)13-9-27-30(3)11-13/h2*6-11,32H,12H2,1-5H3/b;29-18+.

What are the key properties of 1-(2,6-difluoro-3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]anilino)-2-methylpropan-2-ol;1-[6-(2,6-difluoro-3,5-dimethoxyphenyl)imino-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-5-yl]-2-methylpropan-2-ol?

1-(2,6-difluoro-3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]anilino)-2-methylpropan-2-ol;1-[6-(2,6-difluoro-3,5-dimethoxyphenyl)imino-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-5-yl]-2-methylpropan-2-ol has a molecular weight of 940.96 g/mol, XLogP of 6.76, 13 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,6-difluoro-3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]anilino)-2-methylpropan-2-ol;1-[6-(2,6-difluoro-3,5-dimethoxyphenyl)imino-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-5-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 159089299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).