4-(2-methoxy-3-pyridinyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine

C18H22N6O — CID 74767048

IUPAC4-(2-methoxy-3-pyridinyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine
SMILESCOc1ncccc1-c1ncnc2c1cnn2CCN1CCCCC1
InChIInChI=1S/C18H22N6O/c1-25-18-14(6-5-7-19-18)16-15-12-22-24(17(15)21-13-20-16)11-10-23-8-3-2-4-9-23/h5-7,12-13H,2-4,8-11H2,1H3
InChIKeyCPWLJDSTPRQENX-UHFFFAOYSA-N
MW338.42 g/mol
LogP2.38
Rot. Bonds5

About 4-(2-methoxy-3-pyridinyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine

4-(2-methoxy-3-pyridinyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine (PubChem CID 74767048) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is 4-(2-methoxy-3-pyridinyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-(2-methoxy-3-pyridinyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine
PubChem CID74767048
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name4-(2-methoxy-3-pyridinyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine
SMILESCOc1ncccc1-c1ncnc2c1cnn2CCN1CCCCC1
InChIInChI=1S/C18H22N6O/c1-25-18-14(6-5-7-19-18)16-15-12-22-24(17(15)21-13-20-16)11-10-23-8-3-2-4-9-23/h5-7,12-13H,2-4,8-11H2,1H3
InChIKeyCPWLJDSTPRQENX-UHFFFAOYSA-N
XLogP2.38
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

Dorsomorphin
CID 11524144
1-Methyl-3-(4-methylpyridin-3-yl)-6-(pyridin-2-ylmethoxy)pyrazolo[3,4-b]pyrazine
CID 72165213
4-[6-[4-(1-Methylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 50997747
Ksq-4279
CID 150782011
4-[2-[4-(3-Pyridin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine
CID 5329453
Methyl substituted pyrazole, 27
CID 23648674
3-(6-{4-[2-(Piperidin-1-yl)ethoxy]phenyl}pyrazolo[1,5-a]pyrimidin-3-yl)pyridine
CID 5329452
6-(4-Methoxyphenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 5329457
6-(4-Methoxyphenyl)-3-(pyridin-3-yl)pyrazolo[1,5-a]pyrimidine
CID 5329458
N-(3-methoxyphenyl)-1-methyl-6-(4-methylpiperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 16456451
Methyl substituted pyrazole, 28
CID 23648676
2-Methoxy-6,7-Dimethyl-9-(4-Methylpyridin-3-Yl)imidazo[1,5-A]pyrido[3,2-E]pyrazine
CID 42629702

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-3-pyridinyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine?
The IUPAC name of 4-(2-methoxy-3-pyridinyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine (CID 74767048) is 4-(2-methoxy-3-pyridinyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for 4-(2-methoxy-3-pyridinyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine?
The canonical SMILES for 4-(2-methoxy-3-pyridinyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine is COc1ncccc1-c1ncnc2c1cnn2CCN1CCCCC1.
What is the InChIKey of 4-(2-methoxy-3-pyridinyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine?
The InChIKey is CPWLJDSTPRQENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O/c1-25-18-14(6-5-7-19-18)16-15-12-22-24(17(15)21-13-20-16)11-10-23-8-3-2-4-9-23/h5-7,12-13H,2-4,8-11H2,1H3.
What are the key properties of 4-(2-methoxy-3-pyridinyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine?
4-(2-methoxy-3-pyridinyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine has a molecular weight of 338.42 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-3-pyridinyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 74767048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).