3-(2-methoxyphenyl)-2,5-dimethyl-7-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine

C25H28N6O — CID 4871516

IUPAC3-(2-methoxyphenyl)-2,5-dimethyl-7-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
SMILESCOc1ccccc1-c1c(C)nn2c(N3CCN(c4cccc(C)n4)CC3)cc(C)nc12
InChIInChI=1S/C25H28N6O/c1-17-8-7-11-22(26-17)29-12-14-30(15-13-29)23-16-18(2)27-25-24(19(3)28-31(23)25)20-9-5-6-10-21(20)32-4/h5-11,16H,12-15H2,1-4H3
InChIKeyKNAQWUZOUIDHHT-UHFFFAOYSA-N
MW428.54 g/mol
LogP4.05
Rot. Bonds4

About 3-(2-methoxyphenyl)-2,5-dimethyl-7-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine

3-(2-methoxyphenyl)-2,5-dimethyl-7-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine (PubChem CID 4871516) has the molecular formula C25H28N6O and a molecular weight of 428.54 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-2,5-dimethyl-7-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-2,5-dimethyl-7-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
PubChem CID4871516
Molecular FormulaC25H28N6O
Molecular Weight428.54 g/mol
Exact Mass428.23
IUPAC Name3-(2-methoxyphenyl)-2,5-dimethyl-7-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
SMILESCOc1ccccc1-c1c(C)nn2c(N3CCN(c4cccc(C)n4)CC3)cc(C)nc12
InChIInChI=1S/C25H28N6O/c1-17-8-7-11-22(26-17)29-12-14-30(15-13-29)23-16-18(2)27-25-24(19(3)28-31(23)25)20-9-5-6-10-21(20)32-4/h5-11,16H,12-15H2,1-4H3
InChIKeyKNAQWUZOUIDHHT-UHFFFAOYSA-N
XLogP4.05
TPSA58.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-2,5-dimethyl-7-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-(2-methoxyphenyl)-2,5-dimethyl-7-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine (CID 4871516) is 3-(2-methoxyphenyl)-2,5-dimethyl-7-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-(2-methoxyphenyl)-2,5-dimethyl-7-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-(2-methoxyphenyl)-2,5-dimethyl-7-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine is COc1ccccc1-c1c(C)nn2c(N3CCN(c4cccc(C)n4)CC3)cc(C)nc12.
What is the InChIKey of 3-(2-methoxyphenyl)-2,5-dimethyl-7-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is KNAQWUZOUIDHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O/c1-17-8-7-11-22(26-17)29-12-14-30(15-13-29)23-16-18(2)27-25-24(19(3)28-31(23)25)20-9-5-6-10-21(20)32-4/h5-11,16H,12-15H2,1-4H3.
What are the key properties of 3-(2-methoxyphenyl)-2,5-dimethyl-7-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine?
3-(2-methoxyphenyl)-2,5-dimethyl-7-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 428.54 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-2,5-dimethyl-7-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 4871516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).