5-chloro-1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]indole

C21H21ClN6 — CID 121224995

IUPAC5-chloro-1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]indole
SMILESCn1cc(-c2ccc(N3CCC(n4ccc5cc(Cl)ccc54)CC3)nn2)cn1
InChIInChI=1S/C21H21ClN6/c1-26-14-16(13-23-26)19-3-5-21(25-24-19)27-9-7-18(8-10-27)28-11-6-15-12-17(22)2-4-20(15)28/h2-6,11-14,18H,7-10H2,1H3
InChIKeyZKGOKZNJBOOPRT-UHFFFAOYSA-N
MW392.89 g/mol
LogP4.33
Rot. Bonds3

About 5-chloro-1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]indole

5-chloro-1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]indole (PubChem CID 121224995) has the molecular formula C21H21ClN6 and a molecular weight of 392.89 g/mol. Its IUPAC name is 5-chloro-1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]indole.

Molecular Properties

Compound Name5-chloro-1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]indole
PubChem CID121224995
Molecular FormulaC21H21ClN6
Molecular Weight392.89 g/mol
Exact Mass392.15
IUPAC Name5-chloro-1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]indole
SMILESCn1cc(-c2ccc(N3CCC(n4ccc5cc(Cl)ccc54)CC3)nn2)cn1
InChIInChI=1S/C21H21ClN6/c1-26-14-16(13-23-26)19-3-5-21(25-24-19)27-9-7-18(8-10-27)28-11-6-15-12-17(22)2-4-20(15)28/h2-6,11-14,18H,7-10H2,1H3
InChIKeyZKGOKZNJBOOPRT-UHFFFAOYSA-N
XLogP4.33
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.89
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]indole?
The IUPAC name of 5-chloro-1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]indole (CID 121224995) is 5-chloro-1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]indole.
What is the SMILES notation for 5-chloro-1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]indole?
The canonical SMILES for 5-chloro-1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]indole is Cn1cc(-c2ccc(N3CCC(n4ccc5cc(Cl)ccc54)CC3)nn2)cn1.
What is the InChIKey of 5-chloro-1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]indole?
The InChIKey is ZKGOKZNJBOOPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN6/c1-26-14-16(13-23-26)19-3-5-21(25-24-19)27-9-7-18(8-10-27)28-11-6-15-12-17(22)2-4-20(15)28/h2-6,11-14,18H,7-10H2,1H3.
What are the key properties of 5-chloro-1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]indole?
5-chloro-1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]indole has a molecular weight of 392.89 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]indole is sourced from PubChem (CID 121224995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).