1-(2,4-dimethylphenyl)-4-(4-propan-2-ylphenoxy)pyrazolo[5,4-d]pyrimidine

C22H22N4O — CID 8540480

IUPAC1-(2,4-dimethylphenyl)-4-(4-propan-2-ylphenoxy)pyrazolo[5,4-d]pyrimidine
SMILESCc1ccc(-n2ncc3c(Oc4ccc(C(C)C)cc4)ncnc32)c(C)c1
InChIInChI=1S/C22H22N4O/c1-14(2)17-6-8-18(9-7-17)27-22-19-12-25-26(21(19)23-13-24-22)20-10-5-15(3)11-16(20)4/h5-14H,1-4H3
InChIKeyCYVXOLTYWKESAQ-UHFFFAOYSA-N
MW358.45 g/mol
LogP5.35
Rot. Bonds4

About 1-(2,4-dimethylphenyl)-4-(4-propan-2-ylphenoxy)pyrazolo[5,4-d]pyrimidine

1-(2,4-dimethylphenyl)-4-(4-propan-2-ylphenoxy)pyrazolo[5,4-d]pyrimidine (PubChem CID 8540480) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-4-(4-propan-2-ylphenoxy)pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-4-(4-propan-2-ylphenoxy)pyrazolo[5,4-d]pyrimidine
PubChem CID8540480
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC Name1-(2,4-dimethylphenyl)-4-(4-propan-2-ylphenoxy)pyrazolo[5,4-d]pyrimidine
SMILESCc1ccc(-n2ncc3c(Oc4ccc(C(C)C)cc4)ncnc32)c(C)c1
InChIInChI=1S/C22H22N4O/c1-14(2)17-6-8-18(9-7-17)27-22-19-12-25-26(21(19)23-13-24-22)20-10-5-15(3)11-16(20)4/h5-14H,1-4H3
InChIKeyCYVXOLTYWKESAQ-UHFFFAOYSA-N
XLogP5.35
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.45
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-phenyl-4-(4-propan-2-ylphenoxy)pyrazolo[5,4-d]pyrimidine
CID 8539191
4-(4-methylphenoxy)-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidine
CID 8539532
1-(2,4-dimethylphenyl)-4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]pyrazolo[5,4-d]pyrimidine
CID 8540585
4-(4-fluorophenoxy)-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidine
CID 8539514
N,1-bis(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 3850696
1-(2,4-dimethylphenyl)-N-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 15955022
1-(2,4-dimethylphenyl)-N-(2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 940192
4-(3,4-dimethylphenoxy)-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidine
CID 8540129
1-(5-chloro-2-methylphenyl)-4-(2,4-dichlorophenoxy)pyrazolo[5,4-d]pyrimidine
CID 8540874
4-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidine
CID 27486956
4-methyl-7-[1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxychromen-2-one
CID 8539687
ethyl 2-[1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylbutanoate
CID 18561904

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-4-(4-propan-2-ylphenoxy)pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 1-(2,4-dimethylphenyl)-4-(4-propan-2-ylphenoxy)pyrazolo[5,4-d]pyrimidine (CID 8540480) is 1-(2,4-dimethylphenyl)-4-(4-propan-2-ylphenoxy)pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-4-(4-propan-2-ylphenoxy)pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-4-(4-propan-2-ylphenoxy)pyrazolo[5,4-d]pyrimidine is Cc1ccc(-n2ncc3c(Oc4ccc(C(C)C)cc4)ncnc32)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-4-(4-propan-2-ylphenoxy)pyrazolo[5,4-d]pyrimidine?
The InChIKey is CYVXOLTYWKESAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c1-14(2)17-6-8-18(9-7-17)27-22-19-12-25-26(21(19)23-13-24-22)20-10-5-15(3)11-16(20)4/h5-14H,1-4H3.
What are the key properties of 1-(2,4-dimethylphenyl)-4-(4-propan-2-ylphenoxy)pyrazolo[5,4-d]pyrimidine?
1-(2,4-dimethylphenyl)-4-(4-propan-2-ylphenoxy)pyrazolo[5,4-d]pyrimidine has a molecular weight of 358.45 g/mol, XLogP of 5.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-4-(4-propan-2-ylphenoxy)pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 8540480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).