[5-(4-methoxyphenyl)-7-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone

C23H22N6O2 — CID 135300329

IUPAC[5-(4-methoxyphenyl)-7-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone
SMILESCOc1ccc(-c2cc(-c3cncnc3)n3nc(C(=O)N4CCCCC4)cc3n2)cc1
InChIInChI=1S/C23H22N6O2/c1-31-18-7-5-16(6-8-18)19-11-21(17-13-24-15-25-14-17)29-22(26-19)12-20(27-29)23(30)28-9-3-2-4-10-28/h5-8,11-15H,2-4,9-10H2,1H3
InChIKeyXCBJEDLAASZANP-UHFFFAOYSA-N
MW414.47 g/mol
LogP3.49
Rot. Bonds4

About [5-(4-methoxyphenyl)-7-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone

[5-(4-methoxyphenyl)-7-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone (PubChem CID 135300329) has the molecular formula C23H22N6O2 and a molecular weight of 414.47 g/mol. Its IUPAC name is [5-(4-methoxyphenyl)-7-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-(4-methoxyphenyl)-7-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone
PubChem CID135300329
Molecular FormulaC23H22N6O2
Molecular Weight414.47 g/mol
Exact Mass414.18
IUPAC Name[5-(4-methoxyphenyl)-7-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone
SMILESCOc1ccc(-c2cc(-c3cncnc3)n3nc(C(=O)N4CCCCC4)cc3n2)cc1
InChIInChI=1S/C23H22N6O2/c1-31-18-7-5-16(6-8-18)19-11-21(17-13-24-15-25-14-17)29-22(26-19)12-20(27-29)23(30)28-9-3-2-4-10-28/h5-8,11-15H,2-4,9-10H2,1H3
InChIKeyXCBJEDLAASZANP-UHFFFAOYSA-N
XLogP3.49
TPSA85.51 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-(4-methoxyphenyl)-7-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone?
The IUPAC name of [5-(4-methoxyphenyl)-7-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone (CID 135300329) is [5-(4-methoxyphenyl)-7-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-(4-methoxyphenyl)-7-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-(4-methoxyphenyl)-7-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone is COc1ccc(-c2cc(-c3cncnc3)n3nc(C(=O)N4CCCCC4)cc3n2)cc1.
What is the InChIKey of [5-(4-methoxyphenyl)-7-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone?
The InChIKey is XCBJEDLAASZANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O2/c1-31-18-7-5-16(6-8-18)19-11-21(17-13-24-15-25-14-17)29-22(26-19)12-20(27-29)23(30)28-9-3-2-4-10-28/h5-8,11-15H,2-4,9-10H2,1H3.
What are the key properties of [5-(4-methoxyphenyl)-7-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone?
[5-(4-methoxyphenyl)-7-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone has a molecular weight of 414.47 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methoxyphenyl)-7-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 135300329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).