(4-benzylpiperazin-1-yl)-[2-(methoxymethyl)-3-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]methanone

C28H31N5O3 — CID 43865364

IUPAC(4-benzylpiperazin-1-yl)-[2-(methoxymethyl)-3-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]methanone
SMILESCOCc1nn2c(C)c(C(=O)N3CCN(Cc4ccccc4)CC3)cnc2c1-c1ccc(OC)cc1
InChIInChI=1S/C28H31N5O3/c1-20-24(28(34)32-15-13-31(14-16-32)18-21-7-5-4-6-8-21)17-29-27-26(25(19-35-2)30-33(20)27)22-9-11-23(36-3)12-10-22/h4-12,17H,13-16,18-19H2,1-3H3
InChIKeyNJNOOCYERNWOLI-UHFFFAOYSA-N
MW485.59 g/mol
LogP3.82
Rot. Bonds7

About (4-benzylpiperazin-1-yl)-[2-(methoxymethyl)-3-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]methanone

(4-benzylpiperazin-1-yl)-[2-(methoxymethyl)-3-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]methanone (PubChem CID 43865364) has the molecular formula C28H31N5O3 and a molecular weight of 485.59 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-[2-(methoxymethyl)-3-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-[2-(methoxymethyl)-3-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]methanone
PubChem CID43865364
Molecular FormulaC28H31N5O3
Molecular Weight485.59 g/mol
Exact Mass485.24
IUPAC Name(4-benzylpiperazin-1-yl)-[2-(methoxymethyl)-3-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]methanone
SMILESCOCc1nn2c(C)c(C(=O)N3CCN(Cc4ccccc4)CC3)cnc2c1-c1ccc(OC)cc1
InChIInChI=1S/C28H31N5O3/c1-20-24(28(34)32-15-13-31(14-16-32)18-21-7-5-4-6-8-21)17-29-27-26(25(19-35-2)30-33(20)27)22-9-11-23(36-3)12-10-22/h4-12,17H,13-16,18-19H2,1-3H3
InChIKeyNJNOOCYERNWOLI-UHFFFAOYSA-N
XLogP3.82
TPSA72.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.59
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(4-benzylpiperazin-1-yl)-[7-ethyl-8-(4-methoxyphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazin-3-yl]methanone
CID 17035598
(4-ethylpiperazin-1-yl)-[7-(methoxymethyl)-4-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazin-3-yl]methanone
CID 43832790
(4-benzylpiperazin-1-yl)-[6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]methanone
CID 44821362
[3-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone
CID 43865298
(1-benzylpyrazolo[3,4-b]pyridin-5-yl)-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 31116432
(4-benzyl-1,4-diazepan-1-yl)-(2-hydroxy-4-methoxyphenyl)methanone
CID 30469431
(4-benzylpiperazin-1-yl)-[6-bromo-2-(4-methoxyphenyl)quinolin-4-yl]methanone
CID 5226155
[7-ethyl-8-(4-methoxyphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-piperidin-1-ylmethanone
CID 17121523
[1-benzyl-3-(4-methoxyphenyl)pyrazol-4-yl]-piperazin-1-ylmethanone;hydrochloride
CID 119400241
[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-[2-(phenoxymethyl)phenyl]methanone
CID 55526800
(4-benzylpiperazin-1-yl)-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methanone
CID 57403942
(4-benzylpiperazin-1-yl)-(5-methoxy-1-methylindol-3-yl)methanone
CID 71701392

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-[2-(methoxymethyl)-3-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-[2-(methoxymethyl)-3-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]methanone (CID 43865364) is (4-benzylpiperazin-1-yl)-[2-(methoxymethyl)-3-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-[2-(methoxymethyl)-3-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-[2-(methoxymethyl)-3-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]methanone is COCc1nn2c(C)c(C(=O)N3CCN(Cc4ccccc4)CC3)cnc2c1-c1ccc(OC)cc1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-[2-(methoxymethyl)-3-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]methanone?
The InChIKey is NJNOOCYERNWOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O3/c1-20-24(28(34)32-15-13-31(14-16-32)18-21-7-5-4-6-8-21)17-29-27-26(25(19-35-2)30-33(20)27)22-9-11-23(36-3)12-10-22/h4-12,17H,13-16,18-19H2,1-3H3.
What are the key properties of (4-benzylpiperazin-1-yl)-[2-(methoxymethyl)-3-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]methanone?
(4-benzylpiperazin-1-yl)-[2-(methoxymethyl)-3-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]methanone has a molecular weight of 485.59 g/mol, XLogP of 3.82, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-[2-(methoxymethyl)-3-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]methanone is sourced from PubChem (CID 43865364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).