(4-benzylpiperidin-1-yl)-[7-(methoxymethyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]methanone

C27H28N4O2 — CID 3947805

IUPAC(4-benzylpiperidin-1-yl)-[7-(methoxymethyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]methanone
SMILESCOCc1c(C(=O)N2CCC(Cc3ccccc3)CC2)cnc2cc(-c3ccccc3)nn12
InChIInChI=1S/C27H28N4O2/c1-33-19-25-23(18-28-26-17-24(29-31(25)26)22-10-6-3-7-11-22)27(32)30-14-12-21(13-15-30)16-20-8-4-2-5-9-20/h2-11,17-18,21H,12-16,19H2,1H3
InChIKeyRQXHLBJERHYZPL-UHFFFAOYSA-N
MW440.55 g/mol
LogP4.64
Rot. Bonds6

About (4-benzylpiperidin-1-yl)-[7-(methoxymethyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]methanone

(4-benzylpiperidin-1-yl)-[7-(methoxymethyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]methanone (PubChem CID 3947805) has the molecular formula C27H28N4O2 and a molecular weight of 440.55 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-[7-(methoxymethyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-[7-(methoxymethyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]methanone
PubChem CID3947805
Molecular FormulaC27H28N4O2
Molecular Weight440.55 g/mol
Exact Mass440.22
IUPAC Name(4-benzylpiperidin-1-yl)-[7-(methoxymethyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]methanone
SMILESCOCc1c(C(=O)N2CCC(Cc3ccccc3)CC2)cnc2cc(-c3ccccc3)nn12
InChIInChI=1S/C27H28N4O2/c1-33-19-25-23(18-28-26-17-24(29-31(25)26)22-10-6-3-7-11-22)27(32)30-14-12-21(13-15-30)16-20-8-4-2-5-9-20/h2-11,17-18,21H,12-16,19H2,1H3
InChIKeyRQXHLBJERHYZPL-UHFFFAOYSA-N
XLogP4.64
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-benzylpiperidin-1-yl)-[7-(methoxymethyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]methanone with MolForge

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Related Compounds

[7-(methoxymethyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperidin-1-yl)methanone
CID 4001881
[4-(2-chlorophenyl)piperazin-1-yl]-[7-(methoxymethyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]methanone
CID 3403374
1-[4-(7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperazin-1-yl]ethanone
CID 3983688
[2-(4-chlorophenyl)-7-ethylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperidin-1-yl)methanone
CID 42752729
(4-benzylpiperidin-1-yl)-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 59011454
(4-benzylpiperidin-1-yl)-[6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]methanone
CID 44821564
(4-benzylpiperidin-1-yl)-[2-(methylamino)-3-pyridinyl]methanone
CID 84575153
(4-benzylpiperidin-1-yl)-(2,5-dihydroxyphenyl)methanone
CID 166451739
(4-benzylpiperidin-1-yl)-(6-chloro-2-phenylquinolin-4-yl)methanone
CID 17250380
(4-benzylpiperidin-1-yl)-(2-bromo-5-methoxyphenyl)methanone
CID 27553728
(4-benzylpiperidin-1-yl)-[2-(2-methoxyethylsulfanyl)phenyl]methanone
CID 2218441
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-[7-(methoxymethyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-[7-(methoxymethyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]methanone (CID 3947805) is (4-benzylpiperidin-1-yl)-[7-(methoxymethyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-[7-(methoxymethyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-[7-(methoxymethyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]methanone is COCc1c(C(=O)N2CCC(Cc3ccccc3)CC2)cnc2cc(-c3ccccc3)nn12.
What is the InChIKey of (4-benzylpiperidin-1-yl)-[7-(methoxymethyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]methanone?
The InChIKey is RQXHLBJERHYZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O2/c1-33-19-25-23(18-28-26-17-24(29-31(25)26)22-10-6-3-7-11-22)27(32)30-14-12-21(13-15-30)16-20-8-4-2-5-9-20/h2-11,17-18,21H,12-16,19H2,1H3.
What are the key properties of (4-benzylpiperidin-1-yl)-[7-(methoxymethyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]methanone?
(4-benzylpiperidin-1-yl)-[7-(methoxymethyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]methanone has a molecular weight of 440.55 g/mol, XLogP of 4.64, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-[7-(methoxymethyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]methanone is sourced from PubChem (CID 3947805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).