1-[6-[(1S,3R)-3-[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]cyclopentyl]pyridazin-3-yl]-3-pyridin-2-ylpropan-2-one

C29H28N6O2 — CID 148863848

IUPAC1-[6-[(1S,3R)-3-[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]cyclopentyl]pyridazin-3-yl]-3-pyridin-2-ylpropan-2-one
SMILESO=C(Cc1ccccn1)Cc1ccc([C@@H]2CC[C@H](c3ccc(CC(=O)Cc4ccccn4)nn3)C2)nn1
InChIInChI=1S/C29H28N6O2/c36-26(16-22-5-1-3-13-30-22)18-24-9-11-28(34-32-24)20-7-8-21(15-20)29-12-10-25(33-35-29)19-27(37)17-23-6-2-4-14-31-23/h1-6,9-14,20-21H,7-8,15-19H2/t20-,21+
InChIKeyOZVOQNCBOSHRSM-OYRHEFFESA-N
MW492.58 g/mol
LogP3.82
Rot. Bonds10

About 1-[6-[(1S,3R)-3-[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]cyclopentyl]pyridazin-3-yl]-3-pyridin-2-ylpropan-2-one

1-[6-[(1S,3R)-3-[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]cyclopentyl]pyridazin-3-yl]-3-pyridin-2-ylpropan-2-one (PubChem CID 148863848) has the molecular formula C29H28N6O2 and a molecular weight of 492.58 g/mol. Its IUPAC name is 1-[6-[(1S,3R)-3-[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]cyclopentyl]pyridazin-3-yl]-3-pyridin-2-ylpropan-2-one.

Molecular Properties

Compound Name1-[6-[(1S,3R)-3-[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]cyclopentyl]pyridazin-3-yl]-3-pyridin-2-ylpropan-2-one
PubChem CID148863848
Molecular FormulaC29H28N6O2
Molecular Weight492.58 g/mol
Exact Mass492.23
IUPAC Name1-[6-[(1S,3R)-3-[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]cyclopentyl]pyridazin-3-yl]-3-pyridin-2-ylpropan-2-one
SMILESO=C(Cc1ccccn1)Cc1ccc([C@@H]2CC[C@H](c3ccc(CC(=O)Cc4ccccn4)nn3)C2)nn1
InChIInChI=1S/C29H28N6O2/c36-26(16-22-5-1-3-13-30-22)18-24-9-11-28(34-32-24)20-7-8-21(15-20)29-12-10-25(33-35-29)19-27(37)17-23-6-2-4-14-31-23/h1-6,9-14,20-21H,7-8,15-19H2/t20-,21+
InChIKeyOZVOQNCBOSHRSM-OYRHEFFESA-N
XLogP3.82
TPSA111.48 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.58
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-[6-[(1S,3R)-3-[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]cyclopentyl]pyridazin-3-yl]-3-pyridin-2-ylpropan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[(1S,3R)-3-[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]cyclopentyl]pyridazin-3-yl]-3-pyridin-2-ylpropan-2-one?
The IUPAC name of 1-[6-[(1S,3R)-3-[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]cyclopentyl]pyridazin-3-yl]-3-pyridin-2-ylpropan-2-one (CID 148863848) is 1-[6-[(1S,3R)-3-[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]cyclopentyl]pyridazin-3-yl]-3-pyridin-2-ylpropan-2-one.
What is the SMILES notation for 1-[6-[(1S,3R)-3-[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]cyclopentyl]pyridazin-3-yl]-3-pyridin-2-ylpropan-2-one?
The canonical SMILES for 1-[6-[(1S,3R)-3-[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]cyclopentyl]pyridazin-3-yl]-3-pyridin-2-ylpropan-2-one is O=C(Cc1ccccn1)Cc1ccc([C@@H]2CC[C@H](c3ccc(CC(=O)Cc4ccccn4)nn3)C2)nn1.
What is the InChIKey of 1-[6-[(1S,3R)-3-[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]cyclopentyl]pyridazin-3-yl]-3-pyridin-2-ylpropan-2-one?
The InChIKey is OZVOQNCBOSHRSM-OYRHEFFESA-N. The full InChI is InChI=1S/C29H28N6O2/c36-26(16-22-5-1-3-13-30-22)18-24-9-11-28(34-32-24)20-7-8-21(15-20)29-12-10-25(33-35-29)19-27(37)17-23-6-2-4-14-31-23/h1-6,9-14,20-21H,7-8,15-19H2/t20-,21+.
What are the key properties of 1-[6-[(1S,3R)-3-[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]cyclopentyl]pyridazin-3-yl]-3-pyridin-2-ylpropan-2-one?
1-[6-[(1S,3R)-3-[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]cyclopentyl]pyridazin-3-yl]-3-pyridin-2-ylpropan-2-one has a molecular weight of 492.58 g/mol, XLogP of 3.82, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(1S,3R)-3-[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]cyclopentyl]pyridazin-3-yl]-3-pyridin-2-ylpropan-2-one is sourced from PubChem (CID 148863848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).