N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-2-(dimethylamino)acetamide

C28H24N8O2S — CID 137112249

About N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-2-(dimethylamino)acetamide

N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-2-(dimethylamino)acetamide (PubChem CID 137112249) has the molecular formula C28H24N8O2S and a molecular weight of 536.62 g/mol. Its IUPAC name is N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-2-(dimethylamino)acetamide.

Molecular Properties

• Compound Name: N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-2-(dimethylamino)acetamide
• PubChem CID: 137112249
• Molecular Formula: C28H24N8O2S
• Molecular Weight: 536.62 g/mol
• Exact Mass: 536.17
• IUPAC Name: N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-2-(dimethylamino)acetamide
• SMILES: CC(=O)c1ccc(-c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cncc(NC(=O)CN(C)C)c6)nc45)cc23)s1
• InChI: InChI=1S/C28H24N8O2S/c1-15(37)24-6-7-25(39-24)19-12-30-13-23-18(19)9-22(32-23)28-27-21(34-35-28)5-4-20(33-27)16-8-17(11-29-10-16)31-26(38)14-36(2)3/h4-13,32H,14H2,1-3H3,(H,31,38)(H,34,35)
• InChIKey: XVCTXOCWHNEDID-UHFFFAOYSA-N
• XLogP: 4.99
• TPSA: 132.55 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	536.62
LogP ≤ 5	4.99
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-2-(dimethylamino)acetamide (CID 137112249) is N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-2-(dimethylamino)acetamide.

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

The canonical SMILES for N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-2-(dimethylamino)acetamide is CC(=O)c1ccc(-c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cncc(NC(=O)CN(C)C)c6)nc45)cc23)s1.

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

The InChIKey is XVCTXOCWHNEDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N8O2S/c1-15(37)24-6-7-25(39-24)19-12-30-13-23-18(19)9-22(32-23)28-27-21(34-35-28)5-4-20(33-27)16-8-17(11-29-10-16)31-26(38)14-36(2)3/h4-13,32H,14H2,1-3H3,(H,31,38)(H,34,35).

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

N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-2-(dimethylamino)acetamide has a molecular weight of 536.62 g/mol, XLogP of 4.99, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-2-(dimethylamino)acetamide is sourced from PubChem (CID 137112249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).