[3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]-(4-phthalazin-1-yloxypiperidin-1-yl)methanone

C26H27N5O4 — CID 90560405

IUPAC[3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]-(4-phthalazin-1-yloxypiperidin-1-yl)methanone
SMILESCOc1ccc(OC)c(-c2cc(C(=O)N3CCC(Oc4nncc5ccccc45)CC3)n(C)n2)c1
InChIInChI=1S/C26H27N5O4/c1-30-23(15-22(29-30)21-14-19(33-2)8-9-24(21)34-3)26(32)31-12-10-18(11-13-31)35-25-20-7-5-4-6-17(20)16-27-28-25/h4-9,14-16,18H,10-13H2,1-3H3
InChIKeyJPDFYESOQAMBEH-UHFFFAOYSA-N
MW473.53 g/mol
LogP3.73
Rot. Bonds6

About [3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]-(4-phthalazin-1-yloxypiperidin-1-yl)methanone

[3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]-(4-phthalazin-1-yloxypiperidin-1-yl)methanone (PubChem CID 90560405) has the molecular formula C26H27N5O4 and a molecular weight of 473.53 g/mol. Its IUPAC name is [3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]-(4-phthalazin-1-yloxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]-(4-phthalazin-1-yloxypiperidin-1-yl)methanone
PubChem CID90560405
Molecular FormulaC26H27N5O4
Molecular Weight473.53 g/mol
Exact Mass473.21
IUPAC Name[3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]-(4-phthalazin-1-yloxypiperidin-1-yl)methanone
SMILESCOc1ccc(OC)c(-c2cc(C(=O)N3CCC(Oc4nncc5ccccc45)CC3)n(C)n2)c1
InChIInChI=1S/C26H27N5O4/c1-30-23(15-22(29-30)21-14-19(33-2)8-9-24(21)34-3)26(32)31-12-10-18(11-13-31)35-25-20-7-5-4-6-17(20)16-27-28-25/h4-9,14-16,18H,10-13H2,1-3H3
InChIKeyJPDFYESOQAMBEH-UHFFFAOYSA-N
XLogP3.73
TPSA91.60 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.53
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]-(4-phthalazin-1-yloxypiperidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]-(4-phthalazin-1-yloxypiperidin-1-yl)methanone
CID 90560415
[3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 121162006
[3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone
CID 121163157
[3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 121084114
(2,3-dimethoxyphenyl)-(4-phthalazin-1-yloxypiperidin-1-yl)methanone
CID 90560263
(4-cyclopropylsulfonylpiperazin-1-yl)-[3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]methanone
CID 121089087
[3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 121161440
[7-(2-chlorophenyl)-1,4-thiazepan-4-yl]-[3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]methanone
CID 90629806
[3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 121162591
[4-[(4-chlorophenyl)methoxymethyl]piperidin-1-yl]-[3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]methanone
CID 71784940
[3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]-(3-pyridin-4-yloxypiperidin-1-yl)methanone
CID 122255848
[3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]-[7-(furan-2-yl)-1,4-thiazepan-4-yl]methanone
CID 90632249

Frequently Asked Questions

What is the IUPAC name of [3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]-(4-phthalazin-1-yloxypiperidin-1-yl)methanone?
The IUPAC name of [3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]-(4-phthalazin-1-yloxypiperidin-1-yl)methanone (CID 90560405) is [3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]-(4-phthalazin-1-yloxypiperidin-1-yl)methanone.
What is the SMILES notation for [3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]-(4-phthalazin-1-yloxypiperidin-1-yl)methanone?
The canonical SMILES for [3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]-(4-phthalazin-1-yloxypiperidin-1-yl)methanone is COc1ccc(OC)c(-c2cc(C(=O)N3CCC(Oc4nncc5ccccc45)CC3)n(C)n2)c1.
What is the InChIKey of [3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]-(4-phthalazin-1-yloxypiperidin-1-yl)methanone?
The InChIKey is JPDFYESOQAMBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O4/c1-30-23(15-22(29-30)21-14-19(33-2)8-9-24(21)34-3)26(32)31-12-10-18(11-13-31)35-25-20-7-5-4-6-17(20)16-27-28-25/h4-9,14-16,18H,10-13H2,1-3H3.
What are the key properties of [3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]-(4-phthalazin-1-yloxypiperidin-1-yl)methanone?
[3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]-(4-phthalazin-1-yloxypiperidin-1-yl)methanone has a molecular weight of 473.53 g/mol, XLogP of 3.73, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]-(4-phthalazin-1-yloxypiperidin-1-yl)methanone is sourced from PubChem (CID 90560405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).