4-methoxy-N-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]benzamide

C18H20N6O2 — CID 162643082

IUPAC4-methoxy-N-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]benzamide
SMILESCOc1ccc(C(=O)NC2CCN(c3ncnc4[nH]ncc34)CC2)cc1
InChIInChI=1S/C18H20N6O2/c1-26-14-4-2-12(3-5-14)18(25)22-13-6-8-24(9-7-13)17-15-10-21-23-16(15)19-11-20-17/h2-5,10-11,13H,6-9H2,1H3,(H,22,25)(H,19,20,21,23)
InChIKeyGBTUJQZPHJDCRB-UHFFFAOYSA-N
MW352.40 g/mol
LogP1.76
Rot. Bonds4

About 4-methoxy-N-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]benzamide

4-methoxy-N-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]benzamide (PubChem CID 162643082) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is 4-methoxy-N-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]benzamide
PubChem CID162643082
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Name4-methoxy-N-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]benzamide
SMILESCOc1ccc(C(=O)NC2CCN(c3ncnc4[nH]ncc34)CC2)cc1
InChIInChI=1S/C18H20N6O2/c1-26-14-4-2-12(3-5-14)18(25)22-13-6-8-24(9-7-13)17-15-10-21-23-16(15)19-11-20-17/h2-5,10-11,13H,6-9H2,1H3,(H,22,25)(H,19,20,21,23)
InChIKeyGBTUJQZPHJDCRB-UHFFFAOYSA-N
XLogP1.76
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]benzamide?
The IUPAC name of 4-methoxy-N-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]benzamide (CID 162643082) is 4-methoxy-N-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]benzamide.
What is the SMILES notation for 4-methoxy-N-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]benzamide?
The canonical SMILES for 4-methoxy-N-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]benzamide is COc1ccc(C(=O)NC2CCN(c3ncnc4[nH]ncc34)CC2)cc1.
What is the InChIKey of 4-methoxy-N-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]benzamide?
The InChIKey is GBTUJQZPHJDCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-26-14-4-2-12(3-5-14)18(25)22-13-6-8-24(9-7-13)17-15-10-21-23-16(15)19-11-20-17/h2-5,10-11,13H,6-9H2,1H3,(H,22,25)(H,19,20,21,23).
What are the key properties of 4-methoxy-N-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]benzamide?
4-methoxy-N-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]benzamide has a molecular weight of 352.40 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]benzamide is sourced from PubChem (CID 162643082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).