3-propan-2-yl-6-[4-[1-(3-pyrazol-1-ylpropyl)piperidin-4-yl]piperidin-1-yl]pyridazine

C23H36N6 — CID 155505349

IUPAC3-propan-2-yl-6-[4-[1-(3-pyrazol-1-ylpropyl)piperidin-4-yl]piperidin-1-yl]pyridazine
SMILESCC(C)c1ccc(N2CCC(C3CCN(CCCn4cccn4)CC3)CC2)nn1
InChIInChI=1S/C23H36N6/c1-19(2)22-5-6-23(26-25-22)28-17-9-21(10-18-28)20-7-15-27(16-8-20)12-4-14-29-13-3-11-24-29/h3,5-6,11,13,19-21H,4,7-10,12,14-18H2,1-2H3
InChIKeyRZHROROIZVIIPO-UHFFFAOYSA-N
MW396.58 g/mol
LogP3.82
Rot. Bonds7

About 3-propan-2-yl-6-[4-[1-(3-pyrazol-1-ylpropyl)piperidin-4-yl]piperidin-1-yl]pyridazine

3-propan-2-yl-6-[4-[1-(3-pyrazol-1-ylpropyl)piperidin-4-yl]piperidin-1-yl]pyridazine (PubChem CID 155505349) has the molecular formula C23H36N6 and a molecular weight of 396.58 g/mol. Its IUPAC name is 3-propan-2-yl-6-[4-[1-(3-pyrazol-1-ylpropyl)piperidin-4-yl]piperidin-1-yl]pyridazine.

Molecular Properties

Compound Name3-propan-2-yl-6-[4-[1-(3-pyrazol-1-ylpropyl)piperidin-4-yl]piperidin-1-yl]pyridazine
PubChem CID155505349
Molecular FormulaC23H36N6
Molecular Weight396.58 g/mol
Exact Mass396.30
IUPAC Name3-propan-2-yl-6-[4-[1-(3-pyrazol-1-ylpropyl)piperidin-4-yl]piperidin-1-yl]pyridazine
SMILESCC(C)c1ccc(N2CCC(C3CCN(CCCn4cccn4)CC3)CC2)nn1
InChIInChI=1S/C23H36N6/c1-19(2)22-5-6-23(26-25-22)28-17-9-21(10-18-28)20-7-15-27(16-8-20)12-4-14-29-13-3-11-24-29/h3,5-6,11,13,19-21H,4,7-10,12,14-18H2,1-2H3
InChIKeyRZHROROIZVIIPO-UHFFFAOYSA-N
XLogP3.82
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.58
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-6-[4-[1-(3-pyrazol-1-ylpropyl)piperidin-4-yl]piperidin-1-yl]pyridazine?
The IUPAC name of 3-propan-2-yl-6-[4-[1-(3-pyrazol-1-ylpropyl)piperidin-4-yl]piperidin-1-yl]pyridazine (CID 155505349) is 3-propan-2-yl-6-[4-[1-(3-pyrazol-1-ylpropyl)piperidin-4-yl]piperidin-1-yl]pyridazine.
What is the SMILES notation for 3-propan-2-yl-6-[4-[1-(3-pyrazol-1-ylpropyl)piperidin-4-yl]piperidin-1-yl]pyridazine?
The canonical SMILES for 3-propan-2-yl-6-[4-[1-(3-pyrazol-1-ylpropyl)piperidin-4-yl]piperidin-1-yl]pyridazine is CC(C)c1ccc(N2CCC(C3CCN(CCCn4cccn4)CC3)CC2)nn1.
What is the InChIKey of 3-propan-2-yl-6-[4-[1-(3-pyrazol-1-ylpropyl)piperidin-4-yl]piperidin-1-yl]pyridazine?
The InChIKey is RZHROROIZVIIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N6/c1-19(2)22-5-6-23(26-25-22)28-17-9-21(10-18-28)20-7-15-27(16-8-20)12-4-14-29-13-3-11-24-29/h3,5-6,11,13,19-21H,4,7-10,12,14-18H2,1-2H3.
What are the key properties of 3-propan-2-yl-6-[4-[1-(3-pyrazol-1-ylpropyl)piperidin-4-yl]piperidin-1-yl]pyridazine?
3-propan-2-yl-6-[4-[1-(3-pyrazol-1-ylpropyl)piperidin-4-yl]piperidin-1-yl]pyridazine has a molecular weight of 396.58 g/mol, XLogP of 3.82, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-6-[4-[1-(3-pyrazol-1-ylpropyl)piperidin-4-yl]piperidin-1-yl]pyridazine is sourced from PubChem (CID 155505349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).