[3-(dimethylamino)azetidin-1-yl]-[2-[6-(2-ethylphenyl)-1H-indazol-3-yl]-5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]methanone

C30H37N7O — CID 157045989

About [3-(dimethylamino)azetidin-1-yl]-[2-[6-(2-ethylphenyl)-1H-indazol-3-yl]-5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]methanone

[3-(dimethylamino)azetidin-1-yl]-[2-[6-(2-ethylphenyl)-1H-indazol-3-yl]-5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]methanone (PubChem CID 157045989) has the molecular formula C30H37N7O and a molecular weight of 511.67 g/mol. Its IUPAC name is [3-(dimethylamino)azetidin-1-yl]-[2-[6-(2-ethylphenyl)-1H-indazol-3-yl]-5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]methanone.

Molecular Properties

• Compound Name: [3-(dimethylamino)azetidin-1-yl]-[2-[6-(2-ethylphenyl)-1H-indazol-3-yl]-5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]methanone
• PubChem CID: 157045989
• Molecular Formula: C30H37N7O
• Molecular Weight: 511.67 g/mol
• Exact Mass: 511.31
• IUPAC Name: [3-(dimethylamino)azetidin-1-yl]-[2-[6-(2-ethylphenyl)-1H-indazol-3-yl]-5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]methanone
• SMILES: CCc1ccccc1-c1ccc2c(-c3nc4c([nH]3)CN(C(C)C)C(C(=O)N3CC(N(C)C)C3)C4)n[nH]c2c1
• InChI: InChI=1S/C30H37N7O/c1-6-19-9-7-8-10-22(19)20-11-12-23-24(13-20)33-34-28(23)29-31-25-14-27(37(18(2)3)17-26(25)32-29)30(38)36-15-21(16-36)35(4)5/h7-13,18,21,27H,6,14-17H2,1-5H3,(H,31,32)(H,33,34)
• InChIKey: OSIPXELPCWKYJD-UHFFFAOYSA-N
• XLogP: 4.09
• TPSA: 84.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.67
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of [3-(dimethylamino)azetidin-1-yl]-[2-[6-(2-ethylphenyl)-1H-indazol-3-yl]-5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]methanone (CID 157045989) is [3-(dimethylamino)azetidin-1-yl]-[2-[6-(2-ethylphenyl)-1H-indazol-3-yl]-5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]methanone.

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

The canonical SMILES for [3-(dimethylamino)azetidin-1-yl]-[2-[6-(2-ethylphenyl)-1H-indazol-3-yl]-5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]methanone is CCc1ccccc1-c1ccc2c(-c3nc4c([nH]3)CN(C(C)C)C(C(=O)N3CC(N(C)C)C3)C4)n[nH]c2c1.

What is the InChIKey of [3-(dimethylamino)azetidin-1-yl]-[2-[6-(2-ethylphenyl)-1H-indazol-3-yl]-5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]methanone?

The InChIKey is OSIPXELPCWKYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N7O/c1-6-19-9-7-8-10-22(19)20-11-12-23-24(13-20)33-34-28(23)29-31-25-14-27(37(18(2)3)17-26(25)32-29)30(38)36-15-21(16-36)35(4)5/h7-13,18,21,27H,6,14-17H2,1-5H3,(H,31,32)(H,33,34).

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

[3-(dimethylamino)azetidin-1-yl]-[2-[6-(2-ethylphenyl)-1H-indazol-3-yl]-5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]methanone has a molecular weight of 511.67 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(dimethylamino)azetidin-1-yl]-[2-[6-(2-ethylphenyl)-1H-indazol-3-yl]-5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]methanone is sourced from PubChem (CID 157045989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).