2-[1-[1-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-yl]ethoxy]-5-pyridazin-4-ylpyrazine

C22H27N7O — CID 67184032

IUPAC2-[1-[1-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-yl]ethoxy]-5-pyridazin-4-ylpyrazine
SMILESCC(C)c1cnc(N2CCC(C(C)Oc3cnc(-c4ccnnc4)cn3)CC2)nc1
InChIInChI=1S/C22H27N7O/c1-15(2)19-10-25-22(26-11-19)29-8-5-17(6-9-29)16(3)30-21-14-23-20(13-24-21)18-4-7-27-28-12-18/h4,7,10-17H,5-6,8-9H2,1-3H3
InChIKeyCPTAYOAPRKZUJE-UHFFFAOYSA-N
MW405.51 g/mol
LogP3.53
Rot. Bonds6

About 2-[1-[1-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-yl]ethoxy]-5-pyridazin-4-ylpyrazine

2-[1-[1-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-yl]ethoxy]-5-pyridazin-4-ylpyrazine (PubChem CID 67184032) has the molecular formula C22H27N7O and a molecular weight of 405.51 g/mol. Its IUPAC name is 2-[1-[1-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-yl]ethoxy]-5-pyridazin-4-ylpyrazine.

Molecular Properties

Compound Name2-[1-[1-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-yl]ethoxy]-5-pyridazin-4-ylpyrazine
PubChem CID67184032
Molecular FormulaC22H27N7O
Molecular Weight405.51 g/mol
Exact Mass405.23
IUPAC Name2-[1-[1-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-yl]ethoxy]-5-pyridazin-4-ylpyrazine
SMILESCC(C)c1cnc(N2CCC(C(C)Oc3cnc(-c4ccnnc4)cn3)CC2)nc1
InChIInChI=1S/C22H27N7O/c1-15(2)19-10-25-22(26-11-19)29-8-5-17(6-9-29)16(3)30-21-14-23-20(13-24-21)18-4-7-27-28-12-18/h4,7,10-17H,5-6,8-9H2,1-3H3
InChIKeyCPTAYOAPRKZUJE-UHFFFAOYSA-N
XLogP3.53
TPSA89.81 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.51
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-yl]ethoxy]-5-pyridazin-4-ylpyrazine?
The IUPAC name of 2-[1-[1-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-yl]ethoxy]-5-pyridazin-4-ylpyrazine (CID 67184032) is 2-[1-[1-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-yl]ethoxy]-5-pyridazin-4-ylpyrazine.
What is the SMILES notation for 2-[1-[1-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-yl]ethoxy]-5-pyridazin-4-ylpyrazine?
The canonical SMILES for 2-[1-[1-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-yl]ethoxy]-5-pyridazin-4-ylpyrazine is CC(C)c1cnc(N2CCC(C(C)Oc3cnc(-c4ccnnc4)cn3)CC2)nc1.
What is the InChIKey of 2-[1-[1-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-yl]ethoxy]-5-pyridazin-4-ylpyrazine?
The InChIKey is CPTAYOAPRKZUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7O/c1-15(2)19-10-25-22(26-11-19)29-8-5-17(6-9-29)16(3)30-21-14-23-20(13-24-21)18-4-7-27-28-12-18/h4,7,10-17H,5-6,8-9H2,1-3H3.
What are the key properties of 2-[1-[1-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-yl]ethoxy]-5-pyridazin-4-ylpyrazine?
2-[1-[1-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-yl]ethoxy]-5-pyridazin-4-ylpyrazine has a molecular weight of 405.51 g/mol, XLogP of 3.53, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-yl]ethoxy]-5-pyridazin-4-ylpyrazine is sourced from PubChem (CID 67184032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).