2-(4-methoxyphenyl)-N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]acetamide

C24H21N7O2 — CID 18570069

IUPAC2-(4-methoxyphenyl)-N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]acetamide
SMILESCOc1ccc(CC(=O)Nc2cc(C)nn2-c2ncnc3c2cnn3-c2ccccc2)cc1
InChIInChI=1S/C24H21N7O2/c1-16-12-21(28-22(32)13-17-8-10-19(33-2)11-9-17)31(29-16)24-20-14-27-30(23(20)25-15-26-24)18-6-4-3-5-7-18/h3-12,14-15H,13H2,1-2H3,(H,28,32)
InChIKeyALZGATGNZXCRIJ-UHFFFAOYSA-N
MW439.48 g/mol
LogP3.50
Rot. Bonds6

About 2-(4-methoxyphenyl)-N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]acetamide

2-(4-methoxyphenyl)-N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]acetamide (PubChem CID 18570069) has the molecular formula C24H21N7O2 and a molecular weight of 439.48 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]acetamide
PubChem CID18570069
Molecular FormulaC24H21N7O2
Molecular Weight439.48 g/mol
Exact Mass439.18
IUPAC Name2-(4-methoxyphenyl)-N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]acetamide
SMILESCOc1ccc(CC(=O)Nc2cc(C)nn2-c2ncnc3c2cnn3-c2ccccc2)cc1
InChIInChI=1S/C24H21N7O2/c1-16-12-21(28-22(32)13-17-8-10-19(33-2)11-9-17)31(29-16)24-20-14-27-30(23(20)25-15-26-24)18-6-4-3-5-7-18/h3-12,14-15H,13H2,1-2H3,(H,28,32)
InChIKeyALZGATGNZXCRIJ-UHFFFAOYSA-N
XLogP3.50
TPSA99.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.48
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]-2-phenylacetamide
CID 44907616
N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-(4-phenylphenyl)acetamide
CID 41242223
N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-(4-methoxyphenoxy)acetamide
CID 18570175
4-chloro-N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]butanamide
CID 41241884
N-[2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-(3-methoxyphenoxy)acetamide
CID 18570113
N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-(2-methoxyphenoxy)acetamide
CID 18570173
(2S)-N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]-2-phenoxypropanamide
CID 41165397
2-chloro-N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]benzamide
CID 27477336
N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]-2-propylpentanamide
CID 41241858
N-[2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]propanamide
CID 18570073
N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]propanamide
CID 18570123
2-(4-ethoxyphenyl)-N-[5-methyl-2-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]acetamide
CID 136603930

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]acetamide (CID 18570069) is 2-(4-methoxyphenyl)-N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]acetamide is COc1ccc(CC(=O)Nc2cc(C)nn2-c2ncnc3c2cnn3-c2ccccc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]acetamide?
The InChIKey is ALZGATGNZXCRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N7O2/c1-16-12-21(28-22(32)13-17-8-10-19(33-2)11-9-17)31(29-16)24-20-14-27-30(23(20)25-15-26-24)18-6-4-3-5-7-18/h3-12,14-15H,13H2,1-2H3,(H,28,32).
What are the key properties of 2-(4-methoxyphenyl)-N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]acetamide?
2-(4-methoxyphenyl)-N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]acetamide has a molecular weight of 439.48 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 18570069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).