[3-(dimethylamino)-3-methylazetidin-1-yl]-[(6S)-5-ethyl-2-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]methanone

C30H37N7O2 — CID 146421297

About [3-(dimethylamino)-3-methylazetidin-1-yl]-[(6S)-5-ethyl-2-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]methanone

[3-(dimethylamino)-3-methylazetidin-1-yl]-[(6S)-5-ethyl-2-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]methanone (PubChem CID 146421297) has the molecular formula C30H37N7O2 and a molecular weight of 527.67 g/mol. Its IUPAC name is [3-(dimethylamino)-3-methylazetidin-1-yl]-[(6S)-5-ethyl-2-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]methanone.

Molecular Properties

• Compound Name: [3-(dimethylamino)-3-methylazetidin-1-yl]-[(6S)-5-ethyl-2-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]methanone
• PubChem CID: 146421297
• Molecular Formula: C30H37N7O2
• Molecular Weight: 527.67 g/mol
• Exact Mass: 527.30
• IUPAC Name: [3-(dimethylamino)-3-methylazetidin-1-yl]-[(6S)-5-ethyl-2-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]methanone
• SMILES: CCc1cc(O)ccc1-c1ccc2c(-c3nc4c([nH]3)CN(CC)[C@H](C(=O)N3CC(C)(N(C)C)C3)C4)n[nH]c2c1
• InChI: InChI=1S/C30H37N7O2/c1-6-18-12-20(38)9-11-21(18)19-8-10-22-23(13-19)33-34-27(22)28-31-24-14-26(36(7-2)15-25(24)32-28)29(39)37-16-30(3,17-37)35(4)5/h8-13,26,38H,6-7,14-17H2,1-5H3,(H,31,32)(H,33,34)/t26-/m0/s1
• InChIKey: RINWDSCUVKTALQ-SANMLTNESA-N
• XLogP: 3.80
• TPSA: 104.38 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	527.67
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)-3-methylazetidin-1-yl]-[(6S)-5-ethyl-2-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]methanone?

The IUPAC name of [3-(dimethylamino)-3-methylazetidin-1-yl]-[(6S)-5-ethyl-2-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]methanone (CID 146421297) is [3-(dimethylamino)-3-methylazetidin-1-yl]-[(6S)-5-ethyl-2-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]methanone.

What is the SMILES notation for [3-(dimethylamino)-3-methylazetidin-1-yl]-[(6S)-5-ethyl-2-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]methanone?

The canonical SMILES for [3-(dimethylamino)-3-methylazetidin-1-yl]-[(6S)-5-ethyl-2-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]methanone is CCc1cc(O)ccc1-c1ccc2c(-c3nc4c([nH]3)CN(CC)[C@H](C(=O)N3CC(C)(N(C)C)C3)C4)n[nH]c2c1.

What is the InChIKey of [3-(dimethylamino)-3-methylazetidin-1-yl]-[(6S)-5-ethyl-2-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]methanone?

The InChIKey is RINWDSCUVKTALQ-SANMLTNESA-N. The full InChI is InChI=1S/C30H37N7O2/c1-6-18-12-20(38)9-11-21(18)19-8-10-22-23(13-19)33-34-27(22)28-31-24-14-26(36(7-2)15-25(24)32-28)29(39)37-16-30(3,17-37)35(4)5/h8-13,26,38H,6-7,14-17H2,1-5H3,(H,31,32)(H,33,34)/t26-/m0/s1.

What are the key properties of [3-(dimethylamino)-3-methylazetidin-1-yl]-[(6S)-5-ethyl-2-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]methanone?

[3-(dimethylamino)-3-methylazetidin-1-yl]-[(6S)-5-ethyl-2-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]methanone has a molecular weight of 527.67 g/mol, XLogP of 3.80, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(dimethylamino)-3-methylazetidin-1-yl]-[(6S)-5-ethyl-2-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]methanone is sourced from PubChem (CID 146421297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).