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

C23H21N7O — CID 137312769

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

2-(dimethylamino)-N-[5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]acetamide (PubChem CID 137312769) has the molecular formula C23H21N7O and a molecular weight of 411.47 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]acetamide.

Molecular Properties

• Compound Name: 2-(dimethylamino)-N-[5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]acetamide
• PubChem CID: 137312769
• Molecular Formula: C23H21N7O
• Molecular Weight: 411.47 g/mol
• Exact Mass: 411.18
• IUPAC Name: 2-(dimethylamino)-N-[5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]acetamide
• SMILES: CN(C)CC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4cc5cnccc5[nH]4)c3c2)c1
• InChI: InChI=1S/C23H21N7O/c1-30(2)13-22(31)26-17-7-15(10-25-12-17)14-3-4-20-18(8-14)23(29-28-20)21-9-16-11-24-6-5-19(16)27-21/h3-12,27H,13H2,1-2H3,(H,26,31)(H,28,29)
• InChIKey: AROWDZQOMXVYFM-UHFFFAOYSA-N
• XLogP: 3.67
• TPSA: 102.59 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.47
LogP ≤ 5	3.67
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-(dimethylamino)-N-[5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]acetamide (CID 137312769) is 2-(dimethylamino)-N-[5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]acetamide.

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

The canonical SMILES for 2-(dimethylamino)-N-[5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]acetamide is CN(C)CC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4cc5cnccc5[nH]4)c3c2)c1.

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

The InChIKey is AROWDZQOMXVYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7O/c1-30(2)13-22(31)26-17-7-15(10-25-12-17)14-3-4-20-18(8-14)23(29-28-20)21-9-16-11-24-6-5-19(16)27-21/h3-12,27H,13H2,1-2H3,(H,26,31)(H,28,29).

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

2-(dimethylamino)-N-[5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]acetamide has a molecular weight of 411.47 g/mol, XLogP of 3.67, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(dimethylamino)-N-[5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]acetamide is sourced from PubChem (CID 137312769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).