2-methyl-N-[5-[3-[7-methyl-4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propanamide

C28H26N8O — CID 145246591

About 2-methyl-N-[5-[3-[7-methyl-4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propanamide

2-methyl-N-[5-[3-[7-methyl-4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propanamide (PubChem CID 145246591) has the molecular formula C28H26N8O and a molecular weight of 490.57 g/mol. Its IUPAC name is 2-methyl-N-[5-[3-[7-methyl-4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propanamide.

Molecular Properties

• Compound Name: 2-methyl-N-[5-[3-[7-methyl-4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propanamide
• PubChem CID: 145246591
• Molecular Formula: C28H26N8O
• Molecular Weight: 490.57 g/mol
• Exact Mass: 490.22
• IUPAC Name: 2-methyl-N-[5-[3-[7-methyl-4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propanamide
• SMILES: Cc1cn(-c2ccc(C)c3[nH]c(-c4n[nH]c5cnc(-c6cncc(NC(=O)C(C)C)c6)cc45)cc23)cn1
• InChI: InChI=1S/C28H26N8O/c1-15(2)28(37)32-19-7-18(10-29-11-19)22-8-20-24(12-30-22)34-35-27(20)23-9-21-25(36-13-17(4)31-14-36)6-5-16(3)26(21)33-23/h5-15,33H,1-4H3,(H,32,37)(H,34,35)
• InChIKey: WAXGDYRJXKSXNS-UHFFFAOYSA-N
• XLogP: 5.57
• TPSA: 117.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.57
LogP ≤ 5	5.57
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[5-[3-[7-methyl-4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propanamide?

The IUPAC name of 2-methyl-N-[5-[3-[7-methyl-4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propanamide (CID 145246591) is 2-methyl-N-[5-[3-[7-methyl-4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propanamide.

What is the SMILES notation for 2-methyl-N-[5-[3-[7-methyl-4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propanamide?

The canonical SMILES for 2-methyl-N-[5-[3-[7-methyl-4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propanamide is Cc1cn(-c2ccc(C)c3[nH]c(-c4n[nH]c5cnc(-c6cncc(NC(=O)C(C)C)c6)cc45)cc23)cn1.

What is the InChIKey of 2-methyl-N-[5-[3-[7-methyl-4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propanamide?

The InChIKey is WAXGDYRJXKSXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N8O/c1-15(2)28(37)32-19-7-18(10-29-11-19)22-8-20-24(12-30-22)34-35-27(20)23-9-21-25(36-13-17(4)31-14-36)6-5-16(3)26(21)33-23/h5-15,33H,1-4H3,(H,32,37)(H,34,35).

What are the key properties of 2-methyl-N-[5-[3-[7-methyl-4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propanamide?

2-methyl-N-[5-[3-[7-methyl-4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propanamide has a molecular weight of 490.57 g/mol, XLogP of 5.57, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[5-[3-[7-methyl-4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propanamide is sourced from PubChem (CID 145246591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).