6-chloro-5-methoxy-3-pyrazolidin-4-yl-1-pyridazin-3-ylindole

C16H16ClN5O — CID 170795271

IUPAC6-chloro-5-methoxy-3-pyrazolidin-4-yl-1-pyridazin-3-ylindole
SMILESCOc1cc2c(C3CNNC3)cn(-c3cccnn3)c2cc1Cl
InChIInChI=1S/C16H16ClN5O/c1-23-15-5-11-12(10-7-19-20-8-10)9-22(14(11)6-13(15)17)16-3-2-4-18-21-16/h2-6,9-10,19-20H,7-8H2,1H3
InChIKeyXZQMMIAWXGKKTK-UHFFFAOYSA-N
MW329.79 g/mol
LogP2.27
Rot. Bonds3

About 6-chloro-5-methoxy-3-pyrazolidin-4-yl-1-pyridazin-3-ylindole

6-chloro-5-methoxy-3-pyrazolidin-4-yl-1-pyridazin-3-ylindole (PubChem CID 170795271) has the molecular formula C16H16ClN5O and a molecular weight of 329.79 g/mol. Its IUPAC name is 6-chloro-5-methoxy-3-pyrazolidin-4-yl-1-pyridazin-3-ylindole.

Molecular Properties

Compound Name6-chloro-5-methoxy-3-pyrazolidin-4-yl-1-pyridazin-3-ylindole
PubChem CID170795271
Molecular FormulaC16H16ClN5O
Molecular Weight329.79 g/mol
Exact Mass329.10
IUPAC Name6-chloro-5-methoxy-3-pyrazolidin-4-yl-1-pyridazin-3-ylindole
SMILESCOc1cc2c(C3CNNC3)cn(-c3cccnn3)c2cc1Cl
InChIInChI=1S/C16H16ClN5O/c1-23-15-5-11-12(10-7-19-20-8-10)9-22(14(11)6-13(15)17)16-3-2-4-18-21-16/h2-6,9-10,19-20H,7-8H2,1H3
InChIKeyXZQMMIAWXGKKTK-UHFFFAOYSA-N
XLogP2.27
TPSA64.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methoxy-3-pyrazolidin-4-yl-1-pyridazin-3-ylindole?
The IUPAC name of 6-chloro-5-methoxy-3-pyrazolidin-4-yl-1-pyridazin-3-ylindole (CID 170795271) is 6-chloro-5-methoxy-3-pyrazolidin-4-yl-1-pyridazin-3-ylindole.
What is the SMILES notation for 6-chloro-5-methoxy-3-pyrazolidin-4-yl-1-pyridazin-3-ylindole?
The canonical SMILES for 6-chloro-5-methoxy-3-pyrazolidin-4-yl-1-pyridazin-3-ylindole is COc1cc2c(C3CNNC3)cn(-c3cccnn3)c2cc1Cl.
What is the InChIKey of 6-chloro-5-methoxy-3-pyrazolidin-4-yl-1-pyridazin-3-ylindole?
The InChIKey is XZQMMIAWXGKKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5O/c1-23-15-5-11-12(10-7-19-20-8-10)9-22(14(11)6-13(15)17)16-3-2-4-18-21-16/h2-6,9-10,19-20H,7-8H2,1H3.
What are the key properties of 6-chloro-5-methoxy-3-pyrazolidin-4-yl-1-pyridazin-3-ylindole?
6-chloro-5-methoxy-3-pyrazolidin-4-yl-1-pyridazin-3-ylindole has a molecular weight of 329.79 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methoxy-3-pyrazolidin-4-yl-1-pyridazin-3-ylindole is sourced from PubChem (CID 170795271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).