3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine

C21H26N6O2 — CID 56940918

IUPAC3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine
SMILESCN1CCN(c2cc(-c3n[nH]c4ccnc(OC5CCOCC5)c34)ccn2)CC1
InChIInChI=1S/C21H26N6O2/c1-26-8-10-27(11-9-26)18-14-15(2-6-22-18)20-19-17(24-25-20)3-7-23-21(19)29-16-4-12-28-13-5-16/h2-3,6-7,14,16H,4-5,8-13H2,1H3,(H,24,25)
InChIKeyHJMQDFUMPHYZNE-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.33
Rot. Bonds4

About 3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine

3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine (PubChem CID 56940918) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is 3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine
PubChem CID56940918
Molecular FormulaC21H26N6O2
Molecular Weight394.48 g/mol
Exact Mass394.21
IUPAC Name3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine
SMILESCN1CCN(c2cc(-c3n[nH]c4ccnc(OC5CCOCC5)c34)ccn2)CC1
InChIInChI=1S/C21H26N6O2/c1-26-8-10-27(11-9-26)18-14-15(2-6-22-18)20-19-17(24-25-20)3-7-23-21(19)29-16-4-12-28-13-5-16/h2-3,6-7,14,16H,4-5,8-13H2,1H3,(H,24,25)
InChIKeyHJMQDFUMPHYZNE-UHFFFAOYSA-N
XLogP2.33
TPSA79.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine (CID 56940918) is 3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine is CN1CCN(c2cc(-c3n[nH]c4ccnc(OC5CCOCC5)c34)ccn2)CC1.
What is the InChIKey of 3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine?
The InChIKey is HJMQDFUMPHYZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2/c1-26-8-10-27(11-9-26)18-14-15(2-6-22-18)20-19-17(24-25-20)3-7-23-21(19)29-16-4-12-28-13-5-16/h2-3,6-7,14,16H,4-5,8-13H2,1H3,(H,24,25).
What are the key properties of 3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine?
3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine has a molecular weight of 394.48 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 56940918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).