4-[6-(5-methoxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-2-one

C16H16N6O2 — CID 90398510

IUPAC4-[6-(5-methoxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-2-one
SMILESCOc1ccc2[nH]nc(-c3cc(N4CCNC(=O)C4)ncn3)c2c1
InChIInChI=1S/C16H16N6O2/c1-24-10-2-3-12-11(6-10)16(21-20-12)13-7-14(19-9-18-13)22-5-4-17-15(23)8-22/h2-3,6-7,9H,4-5,8H2,1H3,(H,17,23)(H,20,21)
InChIKeyPGEDEZJNMIRJKF-UHFFFAOYSA-N
MW324.34 g/mol
LogP0.96
Rot. Bonds3

About 4-[6-(5-methoxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-2-one

4-[6-(5-methoxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-2-one (PubChem CID 90398510) has the molecular formula C16H16N6O2 and a molecular weight of 324.34 g/mol. Its IUPAC name is 4-[6-(5-methoxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-2-one.

Molecular Properties

Compound Name4-[6-(5-methoxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-2-one
PubChem CID90398510
Molecular FormulaC16H16N6O2
Molecular Weight324.34 g/mol
Exact Mass324.13
IUPAC Name4-[6-(5-methoxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-2-one
SMILESCOc1ccc2[nH]nc(-c3cc(N4CCNC(=O)C4)ncn3)c2c1
InChIInChI=1S/C16H16N6O2/c1-24-10-2-3-12-11(6-10)16(21-20-12)13-7-14(19-9-18-13)22-5-4-17-15(23)8-22/h2-3,6-7,9H,4-5,8H2,1H3,(H,17,23)(H,20,21)
InChIKeyPGEDEZJNMIRJKF-UHFFFAOYSA-N
XLogP0.96
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(5-methoxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-2-one?
The IUPAC name of 4-[6-(5-methoxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-2-one (CID 90398510) is 4-[6-(5-methoxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-2-one.
What is the SMILES notation for 4-[6-(5-methoxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-2-one?
The canonical SMILES for 4-[6-(5-methoxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-2-one is COc1ccc2[nH]nc(-c3cc(N4CCNC(=O)C4)ncn3)c2c1.
What is the InChIKey of 4-[6-(5-methoxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-2-one?
The InChIKey is PGEDEZJNMIRJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O2/c1-24-10-2-3-12-11(6-10)16(21-20-12)13-7-14(19-9-18-13)22-5-4-17-15(23)8-22/h2-3,6-7,9H,4-5,8H2,1H3,(H,17,23)(H,20,21).
What are the key properties of 4-[6-(5-methoxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-2-one?
4-[6-(5-methoxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-2-one has a molecular weight of 324.34 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(5-methoxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-2-one is sourced from PubChem (CID 90398510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).