2-(dimethylamino)-N-[5-[3-(4-pyridin-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]acetamide

C27H23N9O — CID 136937208

About 2-(dimethylamino)-N-[5-[3-(4-pyridin-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]acetamide

2-(dimethylamino)-N-[5-[3-(4-pyridin-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]acetamide (PubChem CID 136937208) has the molecular formula C27H23N9O and a molecular weight of 489.54 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[5-[3-(4-pyridin-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]acetamide.

Molecular Properties

• Compound Name: 2-(dimethylamino)-N-[5-[3-(4-pyridin-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]acetamide
• PubChem CID: 136937208
• Molecular Formula: C27H23N9O
• Molecular Weight: 489.54 g/mol
• Exact Mass: 489.20
• IUPAC Name: 2-(dimethylamino)-N-[5-[3-(4-pyridin-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]acetamide
• SMILES: CN(C)CC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccnc6)nccc5[nH]4)c3c2)c1
• InChI: InChI=1S/C27H23N9O/c1-36(2)15-23(37)31-19-10-18(13-29-14-19)16-5-6-21-20(11-16)25(35-34-21)27-32-22-7-9-30-24(26(22)33-27)17-4-3-8-28-12-17/h3-14H,15H2,1-2H3,(H,31,37)(H,32,33)(H,34,35)
• InChIKey: MJBDQISRPGPTTJ-UHFFFAOYSA-N
• XLogP: 4.13
• TPSA: 128.37 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	489.54
LogP ≤ 5	4.13
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[5-[3-(4-pyridin-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]acetamide?

The IUPAC name of 2-(dimethylamino)-N-[5-[3-(4-pyridin-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]acetamide (CID 136937208) is 2-(dimethylamino)-N-[5-[3-(4-pyridin-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]acetamide.

What is the SMILES notation for 2-(dimethylamino)-N-[5-[3-(4-pyridin-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]acetamide?

The canonical SMILES for 2-(dimethylamino)-N-[5-[3-(4-pyridin-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]acetamide is CN(C)CC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccnc6)nccc5[nH]4)c3c2)c1.

What is the InChIKey of 2-(dimethylamino)-N-[5-[3-(4-pyridin-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]acetamide?

The InChIKey is MJBDQISRPGPTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N9O/c1-36(2)15-23(37)31-19-10-18(13-29-14-19)16-5-6-21-20(11-16)25(35-34-21)27-32-22-7-9-30-24(26(22)33-27)17-4-3-8-28-12-17/h3-14H,15H2,1-2H3,(H,31,37)(H,32,33)(H,34,35).

What are the key properties of 2-(dimethylamino)-N-[5-[3-(4-pyridin-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]acetamide?

2-(dimethylamino)-N-[5-[3-(4-pyridin-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]acetamide has a molecular weight of 489.54 g/mol, XLogP of 4.13, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(dimethylamino)-N-[5-[3-(4-pyridin-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]acetamide is sourced from PubChem (CID 136937208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).