4-chloro-5-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-2-phenylpyridazin-3-one

C23H31ClN4O2 — CID 133338550

IUPAC4-chloro-5-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-2-phenylpyridazin-3-one
SMILESCC1CN(CCC2CCN(c3cnn(-c4ccccc4)c(=O)c3Cl)CC2)CC(C)O1
InChIInChI=1S/C23H31ClN4O2/c1-17-15-26(16-18(2)30-17)11-8-19-9-12-27(13-10-19)21-14-25-28(23(29)22(21)24)20-6-4-3-5-7-20/h3-7,14,17-19H,8-13,15-16H2,1-2H3
InChIKeyDONLTFXQNAJZSY-UHFFFAOYSA-N
MW430.98 g/mol
LogP3.60
Rot. Bonds5

About 4-chloro-5-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-2-phenylpyridazin-3-one

4-chloro-5-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-2-phenylpyridazin-3-one (PubChem CID 133338550) has the molecular formula C23H31ClN4O2 and a molecular weight of 430.98 g/mol. Its IUPAC name is 4-chloro-5-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-2-phenylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-2-phenylpyridazin-3-one
PubChem CID133338550
Molecular FormulaC23H31ClN4O2
Molecular Weight430.98 g/mol
Exact Mass430.21
IUPAC Name4-chloro-5-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-2-phenylpyridazin-3-one
SMILESCC1CN(CCC2CCN(c3cnn(-c4ccccc4)c(=O)c3Cl)CC2)CC(C)O1
InChIInChI=1S/C23H31ClN4O2/c1-17-15-26(16-18(2)30-17)11-8-19-9-12-27(13-10-19)21-14-25-28(23(29)22(21)24)20-6-4-3-5-7-20/h3-7,14,17-19H,8-13,15-16H2,1-2H3
InChIKeyDONLTFXQNAJZSY-UHFFFAOYSA-N
XLogP3.60
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.98
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-2-phenylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-2-phenylpyridazin-3-one (CID 133338550) is 4-chloro-5-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-2-phenylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-2-phenylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-2-phenylpyridazin-3-one is CC1CN(CCC2CCN(c3cnn(-c4ccccc4)c(=O)c3Cl)CC2)CC(C)O1.
What is the InChIKey of 4-chloro-5-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-2-phenylpyridazin-3-one?
The InChIKey is DONLTFXQNAJZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31ClN4O2/c1-17-15-26(16-18(2)30-17)11-8-19-9-12-27(13-10-19)21-14-25-28(23(29)22(21)24)20-6-4-3-5-7-20/h3-7,14,17-19H,8-13,15-16H2,1-2H3.
What are the key properties of 4-chloro-5-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-2-phenylpyridazin-3-one?
4-chloro-5-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-2-phenylpyridazin-3-one has a molecular weight of 430.98 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-2-phenylpyridazin-3-one is sourced from PubChem (CID 133338550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).