1-[2-(4-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-ol

C24H24N4O2 — CID 3230027

IUPAC1-[2-(4-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-ol
SMILESCOc1ccc(-c2cc3nc(-c4ccccc4)cc(N4CCCC(O)C4)n3n2)cc1
InChIInChI=1S/C24H24N4O2/c1-30-20-11-9-18(10-12-20)22-14-23-25-21(17-6-3-2-4-7-17)15-24(28(23)26-22)27-13-5-8-19(29)16-27/h2-4,6-7,9-12,14-15,19,29H,5,8,13,16H2,1H3
InChIKeyANWOZKKGJDTRPX-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.03
Rot. Bonds4

About 1-[2-(4-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-ol

1-[2-(4-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-ol (PubChem CID 3230027) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-ol.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-ol
PubChem CID3230027
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name1-[2-(4-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-ol
SMILESCOc1ccc(-c2cc3nc(-c4ccccc4)cc(N4CCCC(O)C4)n3n2)cc1
InChIInChI=1S/C24H24N4O2/c1-30-20-11-9-18(10-12-20)22-14-23-25-21(17-6-3-2-4-7-17)15-24(28(23)26-22)27-13-5-8-19(29)16-27/h2-4,6-7,9-12,14-15,19,29H,5,8,13,16H2,1H3
InChIKeyANWOZKKGJDTRPX-UHFFFAOYSA-N
XLogP4.03
TPSA62.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-ol?
The IUPAC name of 1-[2-(4-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-ol (CID 3230027) is 1-[2-(4-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-ol.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-ol?
The canonical SMILES for 1-[2-(4-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-ol is COc1ccc(-c2cc3nc(-c4ccccc4)cc(N4CCCC(O)C4)n3n2)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-ol?
The InChIKey is ANWOZKKGJDTRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-30-20-11-9-18(10-12-20)22-14-23-25-21(17-6-3-2-4-7-17)15-24(28(23)26-22)27-13-5-8-19(29)16-27/h2-4,6-7,9-12,14-15,19,29H,5,8,13,16H2,1H3.
What are the key properties of 1-[2-(4-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-ol?
1-[2-(4-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-ol has a molecular weight of 400.48 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-ol is sourced from PubChem (CID 3230027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).