N-[5-[3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide

C28H26N8O — CID 137111598

About N-[5-[3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide

N-[5-[3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide (PubChem CID 137111598) has the molecular formula C28H26N8O and a molecular weight of 490.57 g/mol. Its IUPAC name is N-[5-[3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide.

Molecular Properties

• Compound Name: N-[5-[3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide
• PubChem CID: 137111598
• Molecular Formula: C28H26N8O
• Molecular Weight: 490.57 g/mol
• Exact Mass: 490.22
• IUPAC Name: N-[5-[3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide
• SMILES: CCCCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-n6cnc(C)c6)ccnc5[nH]4)c3c2)c1
• InChI: InChI=1S/C28H26N8O/c1-3-4-5-26(37)32-20-10-19(13-29-14-20)18-6-7-23-21(11-18)27(35-34-23)24-12-22-25(8-9-30-28(22)33-24)36-15-17(2)31-16-36/h6-16H,3-5H2,1-2H3,(H,30,33)(H,32,37)(H,34,35)
• InChIKey: CKTYOTVDIXVKBP-UHFFFAOYSA-N
• XLogP: 5.79
• TPSA: 117.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.57
LogP ≤ 5	5.79
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[5-[3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide (CID 137111598) is N-[5-[3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide.

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

The canonical SMILES for N-[5-[3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide is CCCCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-n6cnc(C)c6)ccnc5[nH]4)c3c2)c1.

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

The InChIKey is CKTYOTVDIXVKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N8O/c1-3-4-5-26(37)32-20-10-19(13-29-14-20)18-6-7-23-21(11-18)27(35-34-23)24-12-22-25(8-9-30-28(22)33-24)36-15-17(2)31-16-36/h6-16H,3-5H2,1-2H3,(H,30,33)(H,32,37)(H,34,35).

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

N-[5-[3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide has a molecular weight of 490.57 g/mol, XLogP of 5.79, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide is sourced from PubChem (CID 137111598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).