3-[5-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-2-fluoro-3-methylphenyl]oxolan-3-ol

C24H29FN6O3 — CID 166983237

IUPAC3-[5-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-2-fluoro-3-methylphenyl]oxolan-3-ol
SMILESCc1cc(-c2cnc(N)c(Oc3cnn(C4CCN(C)CC4)c3)n2)cc(C2(O)CCOC2)c1F
InChIInChI=1S/C24H29FN6O3/c1-15-9-16(10-19(21(15)25)24(32)5-8-33-14-24)20-12-27-22(26)23(29-20)34-18-11-28-31(13-18)17-3-6-30(2)7-4-17/h9-13,17,32H,3-8,14H2,1-2H3,(H2,26,27)
InChIKeyJVUMCNPJJKAJAI-UHFFFAOYSA-N
MW468.53 g/mol
LogP3.04
Rot. Bonds5

About 3-[5-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-2-fluoro-3-methylphenyl]oxolan-3-ol

3-[5-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-2-fluoro-3-methylphenyl]oxolan-3-ol (PubChem CID 166983237) has the molecular formula C24H29FN6O3 and a molecular weight of 468.53 g/mol. Its IUPAC name is 3-[5-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-2-fluoro-3-methylphenyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[5-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-2-fluoro-3-methylphenyl]oxolan-3-ol
PubChem CID166983237
Molecular FormulaC24H29FN6O3
Molecular Weight468.53 g/mol
Exact Mass468.23
IUPAC Name3-[5-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-2-fluoro-3-methylphenyl]oxolan-3-ol
SMILESCc1cc(-c2cnc(N)c(Oc3cnn(C4CCN(C)CC4)c3)n2)cc(C2(O)CCOC2)c1F
InChIInChI=1S/C24H29FN6O3/c1-15-9-16(10-19(21(15)25)24(32)5-8-33-14-24)20-12-27-22(26)23(29-20)34-18-11-28-31(13-18)17-3-6-30(2)7-4-17/h9-13,17,32H,3-8,14H2,1-2H3,(H2,26,27)
InChIKeyJVUMCNPJJKAJAI-UHFFFAOYSA-N
XLogP3.04
TPSA111.55 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.53
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-2-fluoro-3-methylphenyl]oxolan-3-ol?
The IUPAC name of 3-[5-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-2-fluoro-3-methylphenyl]oxolan-3-ol (CID 166983237) is 3-[5-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-2-fluoro-3-methylphenyl]oxolan-3-ol.
What is the SMILES notation for 3-[5-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-2-fluoro-3-methylphenyl]oxolan-3-ol?
The canonical SMILES for 3-[5-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-2-fluoro-3-methylphenyl]oxolan-3-ol is Cc1cc(-c2cnc(N)c(Oc3cnn(C4CCN(C)CC4)c3)n2)cc(C2(O)CCOC2)c1F.
What is the InChIKey of 3-[5-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-2-fluoro-3-methylphenyl]oxolan-3-ol?
The InChIKey is JVUMCNPJJKAJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN6O3/c1-15-9-16(10-19(21(15)25)24(32)5-8-33-14-24)20-12-27-22(26)23(29-20)34-18-11-28-31(13-18)17-3-6-30(2)7-4-17/h9-13,17,32H,3-8,14H2,1-2H3,(H2,26,27).
What are the key properties of 3-[5-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-2-fluoro-3-methylphenyl]oxolan-3-ol?
3-[5-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-2-fluoro-3-methylphenyl]oxolan-3-ol has a molecular weight of 468.53 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-2-fluoro-3-methylphenyl]oxolan-3-ol is sourced from PubChem (CID 166983237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).