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

C18H23ClN6O — CID 74767043

IUPAC4-(4-methoxy-3-pyridinyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine;hydrochloride
SMILESCOc1ccncc1-c1ncnc2c1cnn2CCN1CCCCC1.Cl
InChIInChI=1S/C18H22N6O.ClH/c1-25-16-5-6-19-11-14(16)17-15-12-22-24(18(15)21-13-20-17)10-9-23-7-3-2-4-8-23;/h5-6,11-13H,2-4,7-10H2,1H3;1H
InChIKeyVJEQRWZRRIEFSS-UHFFFAOYSA-N
MW374.88 g/mol
LogP2.80
Rot. Bonds5

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

4-(4-methoxy-3-pyridinyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine;hydrochloride (PubChem CID 74767043) has the molecular formula C18H23ClN6O and a molecular weight of 374.88 g/mol. Its IUPAC name is 4-(4-methoxy-3-pyridinyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine;hydrochloride.

Molecular Properties

Compound Name4-(4-methoxy-3-pyridinyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine;hydrochloride
PubChem CID74767043
Molecular FormulaC18H23ClN6O
Molecular Weight374.88 g/mol
Exact Mass374.16
IUPAC Name4-(4-methoxy-3-pyridinyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine;hydrochloride
SMILESCOc1ccncc1-c1ncnc2c1cnn2CCN1CCCCC1.Cl
InChIInChI=1S/C18H22N6O.ClH/c1-25-16-5-6-19-11-14(16)17-15-12-22-24(18(15)21-13-20-17)10-9-23-7-3-2-4-8-23;/h5-6,11-13H,2-4,7-10H2,1H3;1H
InChIKeyVJEQRWZRRIEFSS-UHFFFAOYSA-N
XLogP2.80
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.88
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-3-pyridinyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine;hydrochloride?
The IUPAC name of 4-(4-methoxy-3-pyridinyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine;hydrochloride (CID 74767043) is 4-(4-methoxy-3-pyridinyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine;hydrochloride.
What is the SMILES notation for 4-(4-methoxy-3-pyridinyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine;hydrochloride?
The canonical SMILES for 4-(4-methoxy-3-pyridinyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine;hydrochloride is COc1ccncc1-c1ncnc2c1cnn2CCN1CCCCC1.Cl.
What is the InChIKey of 4-(4-methoxy-3-pyridinyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine;hydrochloride?
The InChIKey is VJEQRWZRRIEFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O.ClH/c1-25-16-5-6-19-11-14(16)17-15-12-22-24(18(15)21-13-20-17)10-9-23-7-3-2-4-8-23;/h5-6,11-13H,2-4,7-10H2,1H3;1H.
What are the key properties of 4-(4-methoxy-3-pyridinyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine;hydrochloride?
4-(4-methoxy-3-pyridinyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine;hydrochloride has a molecular weight of 374.88 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-3-pyridinyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine;hydrochloride is sourced from PubChem (CID 74767043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).