5-chloro-6-[4-methyl-8-[(3S)-1-methylpiperidin-3-yl]-6,7-dihydro-5H-pyrido[2,3-c]pyridazin-3-yl]pyridine-3-carbonitrile

C20H23ClN6 — CID 171826630

About 5-chloro-6-[4-methyl-8-[(3S)-1-methylpiperidin-3-yl]-6,7-dihydro-5H-pyrido[2,3-c]pyridazin-3-yl]pyridine-3-carbonitrile

5-chloro-6-[4-methyl-8-[(3S)-1-methylpiperidin-3-yl]-6,7-dihydro-5H-pyrido[2,3-c]pyridazin-3-yl]pyridine-3-carbonitrile (PubChem CID 171826630) has the molecular formula C20H23ClN6 and a molecular weight of 382.90 g/mol. Its IUPAC name is 5-chloro-6-[4-methyl-8-[(3S)-1-methylpiperidin-3-yl]-6,7-dihydro-5H-pyrido[2,3-c]pyridazin-3-yl]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 5-chloro-6-[4-methyl-8-[(3S)-1-methylpiperidin-3-yl]-6,7-dihydro-5H-pyrido[2,3-c]pyridazin-3-yl]pyridine-3-carbonitrile
• PubChem CID: 171826630
• Molecular Formula: C20H23ClN6
• Molecular Weight: 382.90 g/mol
• Exact Mass: 382.17
• IUPAC Name: 5-chloro-6-[4-methyl-8-[(3S)-1-methylpiperidin-3-yl]-6,7-dihydro-5H-pyrido[2,3-c]pyridazin-3-yl]pyridine-3-carbonitrile
• SMILES: Cc1c(-c2ncc(C#N)cc2Cl)nnc2c1CCCN2[C@H]1CCCN(C)C1
• InChI: InChI=1S/C20H23ClN6/c1-13-16-6-4-8-27(15-5-3-7-26(2)12-15)20(16)25-24-18(13)19-17(21)9-14(10-22)11-23-19/h9,11,15H,3-8,12H2,1-2H3/t15-/m0/s1
• InChIKey: IGDRHIUFCMLMMP-HNNXBMFYSA-N
• XLogP: 3.22
• TPSA: 68.94 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.90
LogP ≤ 5	3.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[4-methyl-8-[(3S)-1-methylpiperidin-3-yl]-6,7-dihydro-5H-pyrido[2,3-c]pyridazin-3-yl]pyridine-3-carbonitrile?

The IUPAC name of 5-chloro-6-[4-methyl-8-[(3S)-1-methylpiperidin-3-yl]-6,7-dihydro-5H-pyrido[2,3-c]pyridazin-3-yl]pyridine-3-carbonitrile (CID 171826630) is 5-chloro-6-[4-methyl-8-[(3S)-1-methylpiperidin-3-yl]-6,7-dihydro-5H-pyrido[2,3-c]pyridazin-3-yl]pyridine-3-carbonitrile.

What is the SMILES notation for 5-chloro-6-[4-methyl-8-[(3S)-1-methylpiperidin-3-yl]-6,7-dihydro-5H-pyrido[2,3-c]pyridazin-3-yl]pyridine-3-carbonitrile?

The canonical SMILES for 5-chloro-6-[4-methyl-8-[(3S)-1-methylpiperidin-3-yl]-6,7-dihydro-5H-pyrido[2,3-c]pyridazin-3-yl]pyridine-3-carbonitrile is Cc1c(-c2ncc(C#N)cc2Cl)nnc2c1CCCN2[C@H]1CCCN(C)C1.

What is the InChIKey of 5-chloro-6-[4-methyl-8-[(3S)-1-methylpiperidin-3-yl]-6,7-dihydro-5H-pyrido[2,3-c]pyridazin-3-yl]pyridine-3-carbonitrile?

The InChIKey is IGDRHIUFCMLMMP-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H23ClN6/c1-13-16-6-4-8-27(15-5-3-7-26(2)12-15)20(16)25-24-18(13)19-17(21)9-14(10-22)11-23-19/h9,11,15H,3-8,12H2,1-2H3/t15-/m0/s1.

What are the key properties of 5-chloro-6-[4-methyl-8-[(3S)-1-methylpiperidin-3-yl]-6,7-dihydro-5H-pyrido[2,3-c]pyridazin-3-yl]pyridine-3-carbonitrile?

5-chloro-6-[4-methyl-8-[(3S)-1-methylpiperidin-3-yl]-6,7-dihydro-5H-pyrido[2,3-c]pyridazin-3-yl]pyridine-3-carbonitrile has a molecular weight of 382.90 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-6-[4-methyl-8-[(3S)-1-methylpiperidin-3-yl]-6,7-dihydro-5H-pyrido[2,3-c]pyridazin-3-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 171826630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).