7-(4-benzylpiperazin-1-yl)-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine

C26H29N5O — CID 4183436

IUPAC7-(4-benzylpiperazin-1-yl)-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine
SMILESCOc1ccccc1-c1c(C)nn2c(N3CCN(Cc4ccccc4)CC3)cc(C)nc12
InChIInChI=1S/C26H29N5O/c1-19-17-24(30-15-13-29(14-16-30)18-21-9-5-4-6-10-21)31-26(27-19)25(20(2)28-31)22-11-7-8-12-23(22)32-3/h4-12,17H,13-16,18H2,1-3H3
InChIKeyFBTWJBDSPSQIHU-UHFFFAOYSA-N
MW427.55 g/mol
LogP4.34
Rot. Bonds5

About 7-(4-benzylpiperazin-1-yl)-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine

7-(4-benzylpiperazin-1-yl)-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine (PubChem CID 4183436) has the molecular formula C26H29N5O and a molecular weight of 427.55 g/mol. Its IUPAC name is 7-(4-benzylpiperazin-1-yl)-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(4-benzylpiperazin-1-yl)-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine
PubChem CID4183436
Molecular FormulaC26H29N5O
Molecular Weight427.55 g/mol
Exact Mass427.24
IUPAC Name7-(4-benzylpiperazin-1-yl)-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine
SMILESCOc1ccccc1-c1c(C)nn2c(N3CCN(Cc4ccccc4)CC3)cc(C)nc12
InChIInChI=1S/C26H29N5O/c1-19-17-24(30-15-13-29(14-16-30)18-21-9-5-4-6-10-21)31-26(27-19)25(20(2)28-31)22-11-7-8-12-23(22)32-3/h4-12,17H,13-16,18H2,1-3H3
InChIKeyFBTWJBDSPSQIHU-UHFFFAOYSA-N
XLogP4.34
TPSA45.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(4-benzylpiperazin-1-yl)-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(4-benzylpiperazin-1-yl)-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine (CID 4183436) is 7-(4-benzylpiperazin-1-yl)-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(4-benzylpiperazin-1-yl)-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(4-benzylpiperazin-1-yl)-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine is COc1ccccc1-c1c(C)nn2c(N3CCN(Cc4ccccc4)CC3)cc(C)nc12.
What is the InChIKey of 7-(4-benzylpiperazin-1-yl)-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine?
The InChIKey is FBTWJBDSPSQIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O/c1-19-17-24(30-15-13-29(14-16-30)18-21-9-5-4-6-10-21)31-26(27-19)25(20(2)28-31)22-11-7-8-12-23(22)32-3/h4-12,17H,13-16,18H2,1-3H3.
What are the key properties of 7-(4-benzylpiperazin-1-yl)-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine?
7-(4-benzylpiperazin-1-yl)-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine has a molecular weight of 427.55 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-benzylpiperazin-1-yl)-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 4183436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).