(6-chloropyridazin-4-yl)-[3-(1-ethyl-5-methylindol-2-yl)piperidin-1-yl]methanone

C21H23ClN4O — CID 118111944

IUPAC(6-chloropyridazin-4-yl)-[3-(1-ethyl-5-methylindol-2-yl)piperidin-1-yl]methanone
SMILESCCn1c(C2CCCN(C(=O)c3cnnc(Cl)c3)C2)cc2cc(C)ccc21
InChIInChI=1S/C21H23ClN4O/c1-3-26-18-7-6-14(2)9-16(18)10-19(26)15-5-4-8-25(13-15)21(27)17-11-20(22)24-23-12-17/h6-7,9-12,15H,3-5,8,13H2,1-2H3
InChIKeyACBGNYPLUOSYEL-UHFFFAOYSA-N
MW382.90 g/mol
LogP4.43
Rot. Bonds3

About (6-chloropyridazin-4-yl)-[3-(1-ethyl-5-methylindol-2-yl)piperidin-1-yl]methanone

(6-chloropyridazin-4-yl)-[3-(1-ethyl-5-methylindol-2-yl)piperidin-1-yl]methanone (PubChem CID 118111944) has the molecular formula C21H23ClN4O and a molecular weight of 382.90 g/mol. Its IUPAC name is (6-chloropyridazin-4-yl)-[3-(1-ethyl-5-methylindol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(6-chloropyridazin-4-yl)-[3-(1-ethyl-5-methylindol-2-yl)piperidin-1-yl]methanone
PubChem CID118111944
Molecular FormulaC21H23ClN4O
Molecular Weight382.90 g/mol
Exact Mass382.16
IUPAC Name(6-chloropyridazin-4-yl)-[3-(1-ethyl-5-methylindol-2-yl)piperidin-1-yl]methanone
SMILESCCn1c(C2CCCN(C(=O)c3cnnc(Cl)c3)C2)cc2cc(C)ccc21
InChIInChI=1S/C21H23ClN4O/c1-3-26-18-7-6-14(2)9-16(18)10-19(26)15-5-4-8-25(13-15)21(27)17-11-20(22)24-23-12-17/h6-7,9-12,15H,3-5,8,13H2,1-2H3
InChIKeyACBGNYPLUOSYEL-UHFFFAOYSA-N
XLogP4.43
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.90
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-chloropyridazin-4-yl)-[3-(1-ethyl-5-methylindol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (6-chloropyridazin-4-yl)-[3-(1-ethyl-5-methylindol-2-yl)piperidin-1-yl]methanone (CID 118111944) is (6-chloropyridazin-4-yl)-[3-(1-ethyl-5-methylindol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (6-chloropyridazin-4-yl)-[3-(1-ethyl-5-methylindol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (6-chloropyridazin-4-yl)-[3-(1-ethyl-5-methylindol-2-yl)piperidin-1-yl]methanone is CCn1c(C2CCCN(C(=O)c3cnnc(Cl)c3)C2)cc2cc(C)ccc21.
What is the InChIKey of (6-chloropyridazin-4-yl)-[3-(1-ethyl-5-methylindol-2-yl)piperidin-1-yl]methanone?
The InChIKey is ACBGNYPLUOSYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O/c1-3-26-18-7-6-14(2)9-16(18)10-19(26)15-5-4-8-25(13-15)21(27)17-11-20(22)24-23-12-17/h6-7,9-12,15H,3-5,8,13H2,1-2H3.
What are the key properties of (6-chloropyridazin-4-yl)-[3-(1-ethyl-5-methylindol-2-yl)piperidin-1-yl]methanone?
(6-chloropyridazin-4-yl)-[3-(1-ethyl-5-methylindol-2-yl)piperidin-1-yl]methanone has a molecular weight of 382.90 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloropyridazin-4-yl)-[3-(1-ethyl-5-methylindol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 118111944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).