1-[4-(2-cyclopropylpyrimidin-4-yl)piperidin-1-yl]-6,7-dimethoxyphthalazine

C22H25N5O2 — CID 24876864

IUPAC1-[4-(2-cyclopropylpyrimidin-4-yl)piperidin-1-yl]-6,7-dimethoxyphthalazine
SMILESCOc1cc2cnnc(N3CCC(c4ccnc(C5CC5)n4)CC3)c2cc1OC
InChIInChI=1S/C22H25N5O2/c1-28-19-11-16-13-24-26-22(17(16)12-20(19)29-2)27-9-6-14(7-10-27)18-5-8-23-21(25-18)15-3-4-15/h5,8,11-15H,3-4,6-7,9-10H2,1-2H3
InChIKeyVXDNCJULNAVEGC-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.70
Rot. Bonds5

About 1-[4-(2-cyclopropylpyrimidin-4-yl)piperidin-1-yl]-6,7-dimethoxyphthalazine

1-[4-(2-cyclopropylpyrimidin-4-yl)piperidin-1-yl]-6,7-dimethoxyphthalazine (PubChem CID 24876864) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 1-[4-(2-cyclopropylpyrimidin-4-yl)piperidin-1-yl]-6,7-dimethoxyphthalazine.

Molecular Properties

Compound Name1-[4-(2-cyclopropylpyrimidin-4-yl)piperidin-1-yl]-6,7-dimethoxyphthalazine
PubChem CID24876864
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name1-[4-(2-cyclopropylpyrimidin-4-yl)piperidin-1-yl]-6,7-dimethoxyphthalazine
SMILESCOc1cc2cnnc(N3CCC(c4ccnc(C5CC5)n4)CC3)c2cc1OC
InChIInChI=1S/C22H25N5O2/c1-28-19-11-16-13-24-26-22(17(16)12-20(19)29-2)27-9-6-14(7-10-27)18-5-8-23-21(25-18)15-3-4-15/h5,8,11-15H,3-4,6-7,9-10H2,1-2H3
InChIKeyVXDNCJULNAVEGC-UHFFFAOYSA-N
XLogP3.70
TPSA73.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-cyclopropylpyrimidin-4-yl)piperidin-1-yl]-6,7-dimethoxyphthalazine?
The IUPAC name of 1-[4-(2-cyclopropylpyrimidin-4-yl)piperidin-1-yl]-6,7-dimethoxyphthalazine (CID 24876864) is 1-[4-(2-cyclopropylpyrimidin-4-yl)piperidin-1-yl]-6,7-dimethoxyphthalazine.
What is the SMILES notation for 1-[4-(2-cyclopropylpyrimidin-4-yl)piperidin-1-yl]-6,7-dimethoxyphthalazine?
The canonical SMILES for 1-[4-(2-cyclopropylpyrimidin-4-yl)piperidin-1-yl]-6,7-dimethoxyphthalazine is COc1cc2cnnc(N3CCC(c4ccnc(C5CC5)n4)CC3)c2cc1OC.
What is the InChIKey of 1-[4-(2-cyclopropylpyrimidin-4-yl)piperidin-1-yl]-6,7-dimethoxyphthalazine?
The InChIKey is VXDNCJULNAVEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-28-19-11-16-13-24-26-22(17(16)12-20(19)29-2)27-9-6-14(7-10-27)18-5-8-23-21(25-18)15-3-4-15/h5,8,11-15H,3-4,6-7,9-10H2,1-2H3.
What are the key properties of 1-[4-(2-cyclopropylpyrimidin-4-yl)piperidin-1-yl]-6,7-dimethoxyphthalazine?
1-[4-(2-cyclopropylpyrimidin-4-yl)piperidin-1-yl]-6,7-dimethoxyphthalazine has a molecular weight of 391.48 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-cyclopropylpyrimidin-4-yl)piperidin-1-yl]-6,7-dimethoxyphthalazine is sourced from PubChem (CID 24876864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).