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

C27H23N7O2 — CID 137113394

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

2-(dimethylamino)-N-[5-[3-[4-(furan-3-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]acetamide (PubChem CID 137113394) has the molecular formula C27H23N7O2 and a molecular weight of 477.53 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[5-[3-[4-(furan-3-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]acetamide.

Molecular Properties

• Compound Name: 2-(dimethylamino)-N-[5-[3-[4-(furan-3-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]acetamide
• PubChem CID: 137113394
• Molecular Formula: C27H23N7O2
• Molecular Weight: 477.53 g/mol
• Exact Mass: 477.19
• IUPAC Name: 2-(dimethylamino)-N-[5-[3-[4-(furan-3-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]acetamide
• SMILES: CN(C)CC(=O)Nc1cncc(-c2cc3c(-c4cc5c(-c6ccoc6)cccc5[nH]4)n[nH]c3cn2)c1
• InChI: InChI=1S/C27H23N7O2/c1-34(2)14-26(35)30-18-8-17(11-28-12-18)23-10-21-25(13-29-23)32-33-27(21)24-9-20-19(16-6-7-36-15-16)4-3-5-22(20)31-24/h3-13,15,31H,14H2,1-2H3,(H,30,35)(H,32,33)
• InChIKey: ZVWPYWMOYYKBJV-UHFFFAOYSA-N
• XLogP: 4.93
• TPSA: 115.73 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.53
LogP ≤ 5	4.93
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-(dimethylamino)-N-[5-[3-[4-(furan-3-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]acetamide (CID 137113394) is 2-(dimethylamino)-N-[5-[3-[4-(furan-3-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]acetamide.

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

The canonical SMILES for 2-(dimethylamino)-N-[5-[3-[4-(furan-3-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]acetamide is CN(C)CC(=O)Nc1cncc(-c2cc3c(-c4cc5c(-c6ccoc6)cccc5[nH]4)n[nH]c3cn2)c1.

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

The InChIKey is ZVWPYWMOYYKBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N7O2/c1-34(2)14-26(35)30-18-8-17(11-28-12-18)23-10-21-25(13-29-23)32-33-27(21)24-9-20-19(16-6-7-36-15-16)4-3-5-22(20)31-24/h3-13,15,31H,14H2,1-2H3,(H,30,35)(H,32,33).

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

2-(dimethylamino)-N-[5-[3-[4-(furan-3-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]acetamide has a molecular weight of 477.53 g/mol, XLogP of 4.93, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(dimethylamino)-N-[5-[3-[4-(furan-3-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]acetamide is sourced from PubChem (CID 137113394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).