[1-[6-(1-quinolin-2-ylazetidin-3-yl)oxypyridazin-4-yl]piperidin-4-yl]methanol

C22H25N5O2 — CID 58547702

IUPAC[1-[6-(1-quinolin-2-ylazetidin-3-yl)oxypyridazin-4-yl]piperidin-4-yl]methanol
SMILESOCC1CCN(c2cnnc(OC3CN(c4ccc5ccccc5n4)C3)c2)CC1
InChIInChI=1S/C22H25N5O2/c28-15-16-7-9-26(10-8-16)18-11-22(25-23-12-18)29-19-13-27(14-19)21-6-5-17-3-1-2-4-20(17)24-21/h1-6,11-12,16,19,28H,7-10,13-15H2
InChIKeyPDQKAYFRRXNSFA-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.50
Rot. Bonds5

About [1-[6-(1-quinolin-2-ylazetidin-3-yl)oxypyridazin-4-yl]piperidin-4-yl]methanol

[1-[6-(1-quinolin-2-ylazetidin-3-yl)oxypyridazin-4-yl]piperidin-4-yl]methanol (PubChem CID 58547702) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is [1-[6-(1-quinolin-2-ylazetidin-3-yl)oxypyridazin-4-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[6-(1-quinolin-2-ylazetidin-3-yl)oxypyridazin-4-yl]piperidin-4-yl]methanol
PubChem CID58547702
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name[1-[6-(1-quinolin-2-ylazetidin-3-yl)oxypyridazin-4-yl]piperidin-4-yl]methanol
SMILESOCC1CCN(c2cnnc(OC3CN(c4ccc5ccccc5n4)C3)c2)CC1
InChIInChI=1S/C22H25N5O2/c28-15-16-7-9-26(10-8-16)18-11-22(25-23-12-18)29-19-13-27(14-19)21-6-5-17-3-1-2-4-20(17)24-21/h1-6,11-12,16,19,28H,7-10,13-15H2
InChIKeyPDQKAYFRRXNSFA-UHFFFAOYSA-N
XLogP2.50
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-[6-(1-quinolin-2-ylazetidin-3-yl)oxypyridazin-4-yl]piperidin-4-yl]methanol?
The IUPAC name of [1-[6-(1-quinolin-2-ylazetidin-3-yl)oxypyridazin-4-yl]piperidin-4-yl]methanol (CID 58547702) is [1-[6-(1-quinolin-2-ylazetidin-3-yl)oxypyridazin-4-yl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[6-(1-quinolin-2-ylazetidin-3-yl)oxypyridazin-4-yl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[6-(1-quinolin-2-ylazetidin-3-yl)oxypyridazin-4-yl]piperidin-4-yl]methanol is OCC1CCN(c2cnnc(OC3CN(c4ccc5ccccc5n4)C3)c2)CC1.
What is the InChIKey of [1-[6-(1-quinolin-2-ylazetidin-3-yl)oxypyridazin-4-yl]piperidin-4-yl]methanol?
The InChIKey is PDQKAYFRRXNSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c28-15-16-7-9-26(10-8-16)18-11-22(25-23-12-18)29-19-13-27(14-19)21-6-5-17-3-1-2-4-20(17)24-21/h1-6,11-12,16,19,28H,7-10,13-15H2.
What are the key properties of [1-[6-(1-quinolin-2-ylazetidin-3-yl)oxypyridazin-4-yl]piperidin-4-yl]methanol?
[1-[6-(1-quinolin-2-ylazetidin-3-yl)oxypyridazin-4-yl]piperidin-4-yl]methanol has a molecular weight of 391.48 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-(1-quinolin-2-ylazetidin-3-yl)oxypyridazin-4-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 58547702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).