N-(5-cyano-2-pyridinyl)-2-[1-(2,5-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-3-ethoxypropanamide

C24H23N7O3 — CID 76550410

IUPACN-(5-cyano-2-pyridinyl)-2-[1-(2,5-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-3-ethoxypropanamide
SMILESCCOCC(Oc1ncnc2c1cnn2-c1cc(C)ccc1C)C(=O)Nc1ccc(C#N)cn1
InChIInChI=1S/C24H23N7O3/c1-4-33-13-20(23(32)30-21-8-7-17(10-25)11-26-21)34-24-18-12-29-31(22(18)27-14-28-24)19-9-15(2)5-6-16(19)3/h5-9,11-12,14,20H,4,13H2,1-3H3,(H,26,30,32)
InChIKeyZXQHADPDZWPIOG-UHFFFAOYSA-N
MW457.49 g/mol
LogP3.12
Rot. Bonds8

About N-(5-cyano-2-pyridinyl)-2-[1-(2,5-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-3-ethoxypropanamide

N-(5-cyano-2-pyridinyl)-2-[1-(2,5-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-3-ethoxypropanamide (PubChem CID 76550410) has the molecular formula C24H23N7O3 and a molecular weight of 457.49 g/mol. Its IUPAC name is N-(5-cyano-2-pyridinyl)-2-[1-(2,5-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-3-ethoxypropanamide.

Molecular Properties

Compound NameN-(5-cyano-2-pyridinyl)-2-[1-(2,5-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-3-ethoxypropanamide
PubChem CID76550410
Molecular FormulaC24H23N7O3
Molecular Weight457.49 g/mol
Exact Mass457.19
IUPAC NameN-(5-cyano-2-pyridinyl)-2-[1-(2,5-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-3-ethoxypropanamide
SMILESCCOCC(Oc1ncnc2c1cnn2-c1cc(C)ccc1C)C(=O)Nc1ccc(C#N)cn1
InChIInChI=1S/C24H23N7O3/c1-4-33-13-20(23(32)30-21-8-7-17(10-25)11-26-21)34-24-18-12-29-31(22(18)27-14-28-24)19-9-15(2)5-6-16(19)3/h5-9,11-12,14,20H,4,13H2,1-3H3,(H,26,30,32)
InChIKeyZXQHADPDZWPIOG-UHFFFAOYSA-N
XLogP3.12
TPSA127.84 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.49
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

(2S)-N-(5-cyano-2-pyridinyl)-3-(2-hydroxyethoxy)-2-[1-(5-isocyano-2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxypropanamide
CID 59279470
3-methoxy-2-(1-methoxypyrazolo[5,4-d]pyrimidin-4-yl)oxy-N-(5-methyl-2-pyridinyl)propanamide
CID 142707665
N-(5-methyl-2-pyridinyl)-2-[1-(4-methylthiophen-3-yl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-3-[1-tri(propan-2-yl)silyloxypropan-2-yloxy]propanamide
CID 59279457
2-[1-(2-chloro-6-cyanophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-3-(1-hydroxypropan-2-yloxy)-N-(5-methyl-2-pyridinyl)propanamide
CID 76550400
3-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yloxy]-2-[1-(3-chloro-2-pyridinyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-N-(5-cyano-2-pyridinyl)propanamide
CID 76550491
3-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]-N-(5-chloro-2-pyridinyl)-2-[1-(3-cyano-2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxypropanamide
CID 76550508
(2R)-2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-N-(5-fluoro-2-pyridinyl)-3-(2-hydroxyethoxy)propanamide
CID 57438605
(2S)-2-[[6-(3-chloro-2-pyridinyl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(5-cyano-2-pyridinyl)-3-ethoxypropanamide
CID 67184601
2-[1-(3-chloro-2-pyridinyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-N-(5-methyl-2-pyridinyl)-3-[1-tri(propan-2-yl)silyloxypropan-2-yloxy]propanamide
CID 59279543
3-cyclobutyloxy-N-(5-methylpyrazin-2-yl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxypropanamide
CID 66813245
2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-N-(5-methyl-2-pyridinyl)acetamide
CID 143937639
2-[[1-(2,5-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol
CID 30877188

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-2-pyridinyl)-2-[1-(2,5-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-3-ethoxypropanamide?
The IUPAC name of N-(5-cyano-2-pyridinyl)-2-[1-(2,5-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-3-ethoxypropanamide (CID 76550410) is N-(5-cyano-2-pyridinyl)-2-[1-(2,5-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-3-ethoxypropanamide.
What is the SMILES notation for N-(5-cyano-2-pyridinyl)-2-[1-(2,5-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-3-ethoxypropanamide?
The canonical SMILES for N-(5-cyano-2-pyridinyl)-2-[1-(2,5-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-3-ethoxypropanamide is CCOCC(Oc1ncnc2c1cnn2-c1cc(C)ccc1C)C(=O)Nc1ccc(C#N)cn1.
What is the InChIKey of N-(5-cyano-2-pyridinyl)-2-[1-(2,5-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-3-ethoxypropanamide?
The InChIKey is ZXQHADPDZWPIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O3/c1-4-33-13-20(23(32)30-21-8-7-17(10-25)11-26-21)34-24-18-12-29-31(22(18)27-14-28-24)19-9-15(2)5-6-16(19)3/h5-9,11-12,14,20H,4,13H2,1-3H3,(H,26,30,32).
What are the key properties of N-(5-cyano-2-pyridinyl)-2-[1-(2,5-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-3-ethoxypropanamide?
N-(5-cyano-2-pyridinyl)-2-[1-(2,5-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-3-ethoxypropanamide has a molecular weight of 457.49 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-2-pyridinyl)-2-[1-(2,5-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-3-ethoxypropanamide is sourced from PubChem (CID 76550410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).