5-(oxan-3-yl)-3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine

C20H24N6O — CID 71254005

IUPAC5-(oxan-3-yl)-3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
SMILESc1cc(-c2n[nH]c3cnc(C4CCCOC4)cc23)nc(N2CCNCC2)c1
InChIInChI=1S/C20H24N6O/c1-4-16(23-19(5-1)26-8-6-21-7-9-26)20-15-11-17(14-3-2-10-27-13-14)22-12-18(15)24-25-20/h1,4-5,11-12,14,21H,2-3,6-10,13H2,(H,24,25)
InChIKeyQKRLKEOSBXNMGP-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.32
Rot. Bonds3

About 5-(oxan-3-yl)-3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine

5-(oxan-3-yl)-3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine (PubChem CID 71254005) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 5-(oxan-3-yl)-3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name5-(oxan-3-yl)-3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
PubChem CID71254005
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name5-(oxan-3-yl)-3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
SMILESc1cc(-c2n[nH]c3cnc(C4CCCOC4)cc23)nc(N2CCNCC2)c1
InChIInChI=1S/C20H24N6O/c1-4-16(23-19(5-1)26-8-6-21-7-9-26)20-15-11-17(14-3-2-10-27-13-14)22-12-18(15)24-25-20/h1,4-5,11-12,14,21H,2-3,6-10,13H2,(H,24,25)
InChIKeyQKRLKEOSBXNMGP-UHFFFAOYSA-N
XLogP2.32
TPSA78.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(oxan-3-yl)-3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 5-(oxan-3-yl)-3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine (CID 71254005) is 5-(oxan-3-yl)-3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 5-(oxan-3-yl)-3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 5-(oxan-3-yl)-3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine is c1cc(-c2n[nH]c3cnc(C4CCCOC4)cc23)nc(N2CCNCC2)c1.
What is the InChIKey of 5-(oxan-3-yl)-3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine?
The InChIKey is QKRLKEOSBXNMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-4-16(23-19(5-1)26-8-6-21-7-9-26)20-15-11-17(14-3-2-10-27-13-14)22-12-18(15)24-25-20/h1,4-5,11-12,14,21H,2-3,6-10,13H2,(H,24,25).
What are the key properties of 5-(oxan-3-yl)-3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine?
5-(oxan-3-yl)-3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 364.45 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxan-3-yl)-3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 71254005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).