4-(methylamino)-2-[6-[3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]imidazo[1,2-b]pyridazin-3-yl]pyridine-3-carbonitrile

C23H20N10O — CID 163228801

About 4-(methylamino)-2-[6-[3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]imidazo[1,2-b]pyridazin-3-yl]pyridine-3-carbonitrile

4-(methylamino)-2-[6-[3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]imidazo[1,2-b]pyridazin-3-yl]pyridine-3-carbonitrile (PubChem CID 163228801) has the molecular formula C23H20N10O and a molecular weight of 452.48 g/mol. Its IUPAC name is 4-(methylamino)-2-[6-[3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]imidazo[1,2-b]pyridazin-3-yl]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 4-(methylamino)-2-[6-[3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]imidazo[1,2-b]pyridazin-3-yl]pyridine-3-carbonitrile
• PubChem CID: 163228801
• Molecular Formula: C23H20N10O
• Molecular Weight: 452.48 g/mol
• Exact Mass: 452.18
• IUPAC Name: 4-(methylamino)-2-[6-[3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]imidazo[1,2-b]pyridazin-3-yl]pyridine-3-carbonitrile
• SMILES: CNc1ccnc(-c2cnc3ccc(-c4cccc(O[C@@H](C)Cn5cnnn5)c4)nn23)c1C#N
• InChI: InChI=1S/C23H20N10O/c1-15(13-32-14-28-30-31-32)34-17-5-3-4-16(10-17)19-6-7-22-27-12-21(33(22)29-19)23-18(11-24)20(25-2)8-9-26-23/h3-10,12,14-15H,13H2,1-2H3,(H,25,26)/t15-/m0/s1
• InChIKey: BLCPAPIEVSAIPD-HNNXBMFYSA-N
• XLogP: 2.83
• TPSA: 131.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	452.48
LogP ≤ 5	2.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-2-[6-[3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]imidazo[1,2-b]pyridazin-3-yl]pyridine-3-carbonitrile?

The IUPAC name of 4-(methylamino)-2-[6-[3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]imidazo[1,2-b]pyridazin-3-yl]pyridine-3-carbonitrile (CID 163228801) is 4-(methylamino)-2-[6-[3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]imidazo[1,2-b]pyridazin-3-yl]pyridine-3-carbonitrile.

What is the SMILES notation for 4-(methylamino)-2-[6-[3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]imidazo[1,2-b]pyridazin-3-yl]pyridine-3-carbonitrile?

The canonical SMILES for 4-(methylamino)-2-[6-[3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]imidazo[1,2-b]pyridazin-3-yl]pyridine-3-carbonitrile is CNc1ccnc(-c2cnc3ccc(-c4cccc(O[C@@H](C)Cn5cnnn5)c4)nn23)c1C#N.

What is the InChIKey of 4-(methylamino)-2-[6-[3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]imidazo[1,2-b]pyridazin-3-yl]pyridine-3-carbonitrile?

The InChIKey is BLCPAPIEVSAIPD-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H20N10O/c1-15(13-32-14-28-30-31-32)34-17-5-3-4-16(10-17)19-6-7-22-27-12-21(33(22)29-19)23-18(11-24)20(25-2)8-9-26-23/h3-10,12,14-15H,13H2,1-2H3,(H,25,26)/t15-/m0/s1.

What are the key properties of 4-(methylamino)-2-[6-[3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]imidazo[1,2-b]pyridazin-3-yl]pyridine-3-carbonitrile?

4-(methylamino)-2-[6-[3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]imidazo[1,2-b]pyridazin-3-yl]pyridine-3-carbonitrile has a molecular weight of 452.48 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(methylamino)-2-[6-[3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]imidazo[1,2-b]pyridazin-3-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 163228801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).