2-(dimethylamino)-N-[5-[3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide

C26H24N10O — CID 137135661

About 2-(dimethylamino)-N-[5-[3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide

2-(dimethylamino)-N-[5-[3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide (PubChem CID 137135661) has the molecular formula C26H24N10O and a molecular weight of 492.55 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[5-[3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide.

Molecular Properties

• Compound Name: 2-(dimethylamino)-N-[5-[3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide
• PubChem CID: 137135661
• Molecular Formula: C26H24N10O
• Molecular Weight: 492.55 g/mol
• Exact Mass: 492.21
• IUPAC Name: 2-(dimethylamino)-N-[5-[3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide
• SMILES: Cc1cn(-c2ccnc3nc(-c4n[nH]c5ccc(-c6cncc(NC(=O)CN(C)C)c6)cc45)[nH]c23)cn1
• InChI: InChI=1S/C26H24N10O/c1-15-12-36(14-29-15)21-6-7-28-25-24(21)31-26(32-25)23-19-9-16(4-5-20(19)33-34-23)17-8-18(11-27-10-17)30-22(37)13-35(2)3/h4-12,14H,13H2,1-3H3,(H,30,37)(H,33,34)(H,28,31,32)
• InChIKey: JSHUPGDOTPFTFL-UHFFFAOYSA-N
• XLogP: 3.56
• TPSA: 133.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.55
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[5-[3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide?

The IUPAC name of 2-(dimethylamino)-N-[5-[3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide (CID 137135661) is 2-(dimethylamino)-N-[5-[3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide.

What is the SMILES notation for 2-(dimethylamino)-N-[5-[3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide?

The canonical SMILES for 2-(dimethylamino)-N-[5-[3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide is Cc1cn(-c2ccnc3nc(-c4n[nH]c5ccc(-c6cncc(NC(=O)CN(C)C)c6)cc45)[nH]c23)cn1.

What is the InChIKey of 2-(dimethylamino)-N-[5-[3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide?

The InChIKey is JSHUPGDOTPFTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N10O/c1-15-12-36(14-29-15)21-6-7-28-25-24(21)31-26(32-25)23-19-9-16(4-5-20(19)33-34-23)17-8-18(11-27-10-17)30-22(37)13-35(2)3/h4-12,14H,13H2,1-3H3,(H,30,37)(H,33,34)(H,28,31,32).

What are the key properties of 2-(dimethylamino)-N-[5-[3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide?

2-(dimethylamino)-N-[5-[3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide has a molecular weight of 492.55 g/mol, XLogP of 3.56, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(dimethylamino)-N-[5-[3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide is sourced from PubChem (CID 137135661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).