1-[6-[1-(2,6-difluoro-3,5-dimethoxyphenyl)-2-methylpropyl]-3-(1-methylpyrazol-4-yl)-6H-pyrido[2,3-b]pyrazin-5-yl]-3-methoxypropan-2-ol

C27H33F2N5O4 — CID 123826291

IUPAC1-[6-[1-(2,6-difluoro-3,5-dimethoxyphenyl)-2-methylpropyl]-3-(1-methylpyrazol-4-yl)-6H-pyrido[2,3-b]pyrazin-5-yl]-3-methoxypropan-2-ol
SMILESCOCC(O)CN1c2nc(-c3cnn(C)c3)cnc2C=CC1C(c1c(F)c(OC)cc(OC)c1F)C(C)C
InChIInChI=1S/C27H33F2N5O4/c1-15(2)23(24-25(28)21(37-5)9-22(38-6)26(24)29)20-8-7-18-27(34(20)13-17(35)14-36-4)32-19(11-30-18)16-10-31-33(3)12-16/h7-12,15,17,20,23,35H,13-14H2,1-6H3
InChIKeyUJFSXXBPZMCFMF-UHFFFAOYSA-N
MW529.59 g/mol
LogP3.82
Rot. Bonds10

About 1-[6-[1-(2,6-difluoro-3,5-dimethoxyphenyl)-2-methylpropyl]-3-(1-methylpyrazol-4-yl)-6H-pyrido[2,3-b]pyrazin-5-yl]-3-methoxypropan-2-ol

1-[6-[1-(2,6-difluoro-3,5-dimethoxyphenyl)-2-methylpropyl]-3-(1-methylpyrazol-4-yl)-6H-pyrido[2,3-b]pyrazin-5-yl]-3-methoxypropan-2-ol (PubChem CID 123826291) has the molecular formula C27H33F2N5O4 and a molecular weight of 529.59 g/mol. Its IUPAC name is 1-[6-[1-(2,6-difluoro-3,5-dimethoxyphenyl)-2-methylpropyl]-3-(1-methylpyrazol-4-yl)-6H-pyrido[2,3-b]pyrazin-5-yl]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[6-[1-(2,6-difluoro-3,5-dimethoxyphenyl)-2-methylpropyl]-3-(1-methylpyrazol-4-yl)-6H-pyrido[2,3-b]pyrazin-5-yl]-3-methoxypropan-2-ol
PubChem CID123826291
Molecular FormulaC27H33F2N5O4
Molecular Weight529.59 g/mol
Exact Mass529.25
IUPAC Name1-[6-[1-(2,6-difluoro-3,5-dimethoxyphenyl)-2-methylpropyl]-3-(1-methylpyrazol-4-yl)-6H-pyrido[2,3-b]pyrazin-5-yl]-3-methoxypropan-2-ol
SMILESCOCC(O)CN1c2nc(-c3cnn(C)c3)cnc2C=CC1C(c1c(F)c(OC)cc(OC)c1F)C(C)C
InChIInChI=1S/C27H33F2N5O4/c1-15(2)23(24-25(28)21(37-5)9-22(38-6)26(24)29)20-8-7-18-27(34(20)13-17(35)14-36-4)32-19(11-30-18)16-10-31-33(3)12-16/h7-12,15,17,20,23,35H,13-14H2,1-6H3
InChIKeyUJFSXXBPZMCFMF-UHFFFAOYSA-N
XLogP3.82
TPSA94.76 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.59
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-[6-[1-(2,6-difluoro-3,5-dimethoxyphenyl)-2-methylpropyl]-3-(1-methylpyrazol-4-yl)-6H-pyrido[2,3-b]pyrazin-5-yl]-3-methoxypropan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[1-(2,6-difluoro-3,5-dimethoxyphenyl)-2-methylpropyl]-3-(1-methylpyrazol-4-yl)-6H-pyrido[2,3-b]pyrazin-5-yl]-3-methoxypropan-2-ol?
The IUPAC name of 1-[6-[1-(2,6-difluoro-3,5-dimethoxyphenyl)-2-methylpropyl]-3-(1-methylpyrazol-4-yl)-6H-pyrido[2,3-b]pyrazin-5-yl]-3-methoxypropan-2-ol (CID 123826291) is 1-[6-[1-(2,6-difluoro-3,5-dimethoxyphenyl)-2-methylpropyl]-3-(1-methylpyrazol-4-yl)-6H-pyrido[2,3-b]pyrazin-5-yl]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[6-[1-(2,6-difluoro-3,5-dimethoxyphenyl)-2-methylpropyl]-3-(1-methylpyrazol-4-yl)-6H-pyrido[2,3-b]pyrazin-5-yl]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[6-[1-(2,6-difluoro-3,5-dimethoxyphenyl)-2-methylpropyl]-3-(1-methylpyrazol-4-yl)-6H-pyrido[2,3-b]pyrazin-5-yl]-3-methoxypropan-2-ol is COCC(O)CN1c2nc(-c3cnn(C)c3)cnc2C=CC1C(c1c(F)c(OC)cc(OC)c1F)C(C)C.
What is the InChIKey of 1-[6-[1-(2,6-difluoro-3,5-dimethoxyphenyl)-2-methylpropyl]-3-(1-methylpyrazol-4-yl)-6H-pyrido[2,3-b]pyrazin-5-yl]-3-methoxypropan-2-ol?
The InChIKey is UJFSXXBPZMCFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33F2N5O4/c1-15(2)23(24-25(28)21(37-5)9-22(38-6)26(24)29)20-8-7-18-27(34(20)13-17(35)14-36-4)32-19(11-30-18)16-10-31-33(3)12-16/h7-12,15,17,20,23,35H,13-14H2,1-6H3.
What are the key properties of 1-[6-[1-(2,6-difluoro-3,5-dimethoxyphenyl)-2-methylpropyl]-3-(1-methylpyrazol-4-yl)-6H-pyrido[2,3-b]pyrazin-5-yl]-3-methoxypropan-2-ol?
1-[6-[1-(2,6-difluoro-3,5-dimethoxyphenyl)-2-methylpropyl]-3-(1-methylpyrazol-4-yl)-6H-pyrido[2,3-b]pyrazin-5-yl]-3-methoxypropan-2-ol has a molecular weight of 529.59 g/mol, XLogP of 3.82, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[1-(2,6-difluoro-3,5-dimethoxyphenyl)-2-methylpropyl]-3-(1-methylpyrazol-4-yl)-6H-pyrido[2,3-b]pyrazin-5-yl]-3-methoxypropan-2-ol is sourced from PubChem (CID 123826291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).