2-(4-chlorophenyl)-1-[4-(6-pyrrolidin-1-ylpyridazin-4-yl)piperazin-1-yl]ethanone

C20H24ClN5O — CID 71807519

IUPAC2-(4-chlorophenyl)-1-[4-(6-pyrrolidin-1-ylpyridazin-4-yl)piperazin-1-yl]ethanone
SMILESO=C(Cc1ccc(Cl)cc1)N1CCN(c2cnnc(N3CCCC3)c2)CC1
InChIInChI=1S/C20H24ClN5O/c21-17-5-3-16(4-6-17)13-20(27)26-11-9-24(10-12-26)18-14-19(23-22-15-18)25-7-1-2-8-25/h3-6,14-15H,1-2,7-13H2
InChIKeyHQFCOBPNAQBVNZ-UHFFFAOYSA-N
MW385.90 g/mol
LogP2.62
Rot. Bonds4

About 2-(4-chlorophenyl)-1-[4-(6-pyrrolidin-1-ylpyridazin-4-yl)piperazin-1-yl]ethanone

2-(4-chlorophenyl)-1-[4-(6-pyrrolidin-1-ylpyridazin-4-yl)piperazin-1-yl]ethanone (PubChem CID 71807519) has the molecular formula C20H24ClN5O and a molecular weight of 385.90 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-[4-(6-pyrrolidin-1-ylpyridazin-4-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-[4-(6-pyrrolidin-1-ylpyridazin-4-yl)piperazin-1-yl]ethanone
PubChem CID71807519
Molecular FormulaC20H24ClN5O
Molecular Weight385.90 g/mol
Exact Mass385.17
IUPAC Name2-(4-chlorophenyl)-1-[4-(6-pyrrolidin-1-ylpyridazin-4-yl)piperazin-1-yl]ethanone
SMILESO=C(Cc1ccc(Cl)cc1)N1CCN(c2cnnc(N3CCCC3)c2)CC1
InChIInChI=1S/C20H24ClN5O/c21-17-5-3-16(4-6-17)13-20(27)26-11-9-24(10-12-26)18-14-19(23-22-15-18)25-7-1-2-8-25/h3-6,14-15H,1-2,7-13H2
InChIKeyHQFCOBPNAQBVNZ-UHFFFAOYSA-N
XLogP2.62
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-[4-(6-pyrrolidin-1-ylpyridazin-4-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-chlorophenyl)-1-[4-(6-pyrrolidin-1-ylpyridazin-4-yl)piperazin-1-yl]ethanone (CID 71807519) is 2-(4-chlorophenyl)-1-[4-(6-pyrrolidin-1-ylpyridazin-4-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-chlorophenyl)-1-[4-(6-pyrrolidin-1-ylpyridazin-4-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-chlorophenyl)-1-[4-(6-pyrrolidin-1-ylpyridazin-4-yl)piperazin-1-yl]ethanone is O=C(Cc1ccc(Cl)cc1)N1CCN(c2cnnc(N3CCCC3)c2)CC1.
What is the InChIKey of 2-(4-chlorophenyl)-1-[4-(6-pyrrolidin-1-ylpyridazin-4-yl)piperazin-1-yl]ethanone?
The InChIKey is HQFCOBPNAQBVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN5O/c21-17-5-3-16(4-6-17)13-20(27)26-11-9-24(10-12-26)18-14-19(23-22-15-18)25-7-1-2-8-25/h3-6,14-15H,1-2,7-13H2.
What are the key properties of 2-(4-chlorophenyl)-1-[4-(6-pyrrolidin-1-ylpyridazin-4-yl)piperazin-1-yl]ethanone?
2-(4-chlorophenyl)-1-[4-(6-pyrrolidin-1-ylpyridazin-4-yl)piperazin-1-yl]ethanone has a molecular weight of 385.90 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-[4-(6-pyrrolidin-1-ylpyridazin-4-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 71807519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).