3-(2-methoxyphenyl)-5-methyl-7-[4-(2-naphthalen-1-yloxyethyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine

C30H31N5O2 — CID 4895002

IUPAC3-(2-methoxyphenyl)-5-methyl-7-[4-(2-naphthalen-1-yloxyethyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
SMILESCOc1ccccc1-c1cnn2c(N3CCN(CCOc4cccc5ccccc45)CC3)cc(C)nc12
InChIInChI=1S/C30H31N5O2/c1-22-20-29(35-30(32-22)26(21-31-35)25-11-5-6-12-27(25)36-2)34-16-14-33(15-17-34)18-19-37-28-13-7-9-23-8-3-4-10-24(23)28/h3-13,20-21H,14-19H2,1-2H3
InChIKeyWYELEGIGTXEREW-UHFFFAOYSA-N
MW493.61 g/mol
LogP5.07
Rot. Bonds7

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

3-(2-methoxyphenyl)-5-methyl-7-[4-(2-naphthalen-1-yloxyethyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine (PubChem CID 4895002) has the molecular formula C30H31N5O2 and a molecular weight of 493.61 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-5-methyl-7-[4-(2-naphthalen-1-yloxyethyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-5-methyl-7-[4-(2-naphthalen-1-yloxyethyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
PubChem CID4895002
Molecular FormulaC30H31N5O2
Molecular Weight493.61 g/mol
Exact Mass493.25
IUPAC Name3-(2-methoxyphenyl)-5-methyl-7-[4-(2-naphthalen-1-yloxyethyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
SMILESCOc1ccccc1-c1cnn2c(N3CCN(CCOc4cccc5ccccc45)CC3)cc(C)nc12
InChIInChI=1S/C30H31N5O2/c1-22-20-29(35-30(32-22)26(21-31-35)25-11-5-6-12-27(25)36-2)34-16-14-33(15-17-34)18-19-37-28-13-7-9-23-8-3-4-10-24(23)28/h3-13,20-21H,14-19H2,1-2H3
InChIKeyWYELEGIGTXEREW-UHFFFAOYSA-N
XLogP5.07
TPSA55.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.61
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3,5-dimethyl-7-[4-(2-naphthalen-1-yloxyethyl)piperazin-1-yl]-2-phenylpyrazolo[1,5-a]pyrimidine
CID 46299075
7-(4-ethylpiperazin-1-yl)-5-methyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
CID 4903337
7-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 18191273
3-(2-methoxyphenyl)-2,5-dimethyl-7-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
CID 4871516
4-(2-naphthalen-1-yloxyethyl)thiomorpholine
CID 48568928
1-(2-naphthalen-1-yloxyethyl)piperidin-4-one
CID 39368285
5-tert-butyl-7-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-3-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidine
CID 4894193
4-methoxy-2-[4-[2-(2-methoxyphenoxy)ethyl]piperazin-1-yl]pyrimidine
CID 47528578
1-[2-(2-chlorophenoxy)ethyl]-4-(6-methyl-2-pyridinyl)piperazine
CID 133313594
4,6-dimethyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]pyrimidine
CID 12962125
4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]-2-phenylquinazoline
CID 11123072
1-[2-(2-methoxyphenyl)phenyl]naphthalene
CID 175027379

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-5-methyl-7-[4-(2-naphthalen-1-yloxyethyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-(2-methoxyphenyl)-5-methyl-7-[4-(2-naphthalen-1-yloxyethyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine (CID 4895002) is 3-(2-methoxyphenyl)-5-methyl-7-[4-(2-naphthalen-1-yloxyethyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-(2-methoxyphenyl)-5-methyl-7-[4-(2-naphthalen-1-yloxyethyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-(2-methoxyphenyl)-5-methyl-7-[4-(2-naphthalen-1-yloxyethyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine is COc1ccccc1-c1cnn2c(N3CCN(CCOc4cccc5ccccc45)CC3)cc(C)nc12.
What is the InChIKey of 3-(2-methoxyphenyl)-5-methyl-7-[4-(2-naphthalen-1-yloxyethyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is WYELEGIGTXEREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N5O2/c1-22-20-29(35-30(32-22)26(21-31-35)25-11-5-6-12-27(25)36-2)34-16-14-33(15-17-34)18-19-37-28-13-7-9-23-8-3-4-10-24(23)28/h3-13,20-21H,14-19H2,1-2H3.
What are the key properties of 3-(2-methoxyphenyl)-5-methyl-7-[4-(2-naphthalen-1-yloxyethyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine?
3-(2-methoxyphenyl)-5-methyl-7-[4-(2-naphthalen-1-yloxyethyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 493.61 g/mol, XLogP of 5.07, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-5-methyl-7-[4-(2-naphthalen-1-yloxyethyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 4895002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).