2-(3,4-dimethoxyphenyl)-N-[2-[5-[(2-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]acetamide

C24H24FN5O4 — CID 16820767

IUPAC2-(3,4-dimethoxyphenyl)-N-[2-[5-[(2-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]acetamide
SMILESCOc1ccc(CC(=O)NCCn2ncc3c(=O)n(Cc4ccccc4F)cnc32)cc1OC
InChIInChI=1S/C24H24FN5O4/c1-33-20-8-7-16(11-21(20)34-2)12-22(31)26-9-10-30-23-18(13-28-30)24(32)29(15-27-23)14-17-5-3-4-6-19(17)25/h3-8,11,13,15H,9-10,12,14H2,1-2H3,(H,26,31)
InChIKeyYNAHKZQYZVOPBO-UHFFFAOYSA-N
MW465.49 g/mol
LogP2.16
Rot. Bonds9

About 2-(3,4-dimethoxyphenyl)-N-[2-[5-[(2-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]acetamide

2-(3,4-dimethoxyphenyl)-N-[2-[5-[(2-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]acetamide (PubChem CID 16820767) has the molecular formula C24H24FN5O4 and a molecular weight of 465.49 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[2-[5-[(2-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[2-[5-[(2-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]acetamide
PubChem CID16820767
Molecular FormulaC24H24FN5O4
Molecular Weight465.49 g/mol
Exact Mass465.18
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[2-[5-[(2-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]acetamide
SMILESCOc1ccc(CC(=O)NCCn2ncc3c(=O)n(Cc4ccccc4F)cnc32)cc1OC
InChIInChI=1S/C24H24FN5O4/c1-33-20-8-7-16(11-21(20)34-2)12-22(31)26-9-10-30-23-18(13-28-30)24(32)29(15-27-23)14-17-5-3-4-6-19(17)25/h3-8,11,13,15H,9-10,12,14H2,1-2H3,(H,26,31)
InChIKeyYNAHKZQYZVOPBO-UHFFFAOYSA-N
XLogP2.16
TPSA100.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.49
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-methoxy-N-[4-({4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-2-yl}methyl)phenyl]benzamide
CID 135869417
(5R,7S)-N-(1,3-benzodioxol-5-ylmethyl)-5-(4-ethylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135567082
N-(1,3-benzodioxol-5-ylmethyl)-2-(1-tert-butyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)acetamide
CID 3241462
N-(3,4-dimethoxyphenethyl)-2-(3-(2-fluorobenzyl)-7-oxo-3H-[1,2,3]triazolo[4,5-d]pyrimidin-6(7H)-yl)acetamide
CID 3242547
[4-[[(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]methyl]-2-methoxyphenyl] N-ethyl-N-methylcarbamate
CID 168298170
[4-[[(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]methyl]-2-methoxyphenyl] N,N-dimethylcarbamate
CID 168298349
5-(1,3-Benzodioxol-5-YL)-N~3~-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-A]pyrimidine-3-carboxamide
CID 3133869
3-Anilino-1-[4-(cyanomethyl)-1-(3,4-dimethoxybenzoyl)piperidin-4-yl]pyrazole-4-carboxamide
CID 89473548
US10364238, Example 71
CID 121365125
1-cyclopentyl-6-[(1R)-1-[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135873921
N-benzyl-5-(3,4-dimethoxyphenyl)-N-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2883890
Tcmdc-142722
CID 2979533

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[2-[5-[(2-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[2-[5-[(2-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]acetamide (CID 16820767) is 2-(3,4-dimethoxyphenyl)-N-[2-[5-[(2-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[2-[5-[(2-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[2-[5-[(2-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]acetamide is COc1ccc(CC(=O)NCCn2ncc3c(=O)n(Cc4ccccc4F)cnc32)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[2-[5-[(2-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]acetamide?
The InChIKey is YNAHKZQYZVOPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O4/c1-33-20-8-7-16(11-21(20)34-2)12-22(31)26-9-10-30-23-18(13-28-30)24(32)29(15-27-23)14-17-5-3-4-6-19(17)25/h3-8,11,13,15H,9-10,12,14H2,1-2H3,(H,26,31).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[2-[5-[(2-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]acetamide?
2-(3,4-dimethoxyphenyl)-N-[2-[5-[(2-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]acetamide has a molecular weight of 465.49 g/mol, XLogP of 2.16, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[2-[5-[(2-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]acetamide is sourced from PubChem (CID 16820767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).