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

C28H23N7O — CID 137111689

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

N-[5-[3-(4-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide (PubChem CID 137111689) has the molecular formula C28H23N7O and a molecular weight of 473.54 g/mol. Its IUPAC name is N-[5-[3-(4-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide.

Molecular Properties

• Compound Name: N-[5-[3-(4-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide
• PubChem CID: 137111689
• Molecular Formula: C28H23N7O
• Molecular Weight: 473.54 g/mol
• Exact Mass: 473.20
• IUPAC Name: N-[5-[3-(4-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide
• SMILES: CCCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccccn6)ccnc5[nH]4)c3c2)c1
• InChI: InChI=1S/C28H23N7O/c1-2-5-26(36)32-19-12-18(15-29-16-19)17-7-8-24-22(13-17)27(35-34-24)25-14-21-20(9-11-31-28(21)33-25)23-6-3-4-10-30-23/h3-4,6-16H,2,5H2,1H3,(H,31,33)(H,32,36)(H,34,35)
• InChIKey: FXMQRUKVRRQBRX-UHFFFAOYSA-N
• XLogP: 5.97
• TPSA: 112.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.54
LogP ≤ 5	5.97
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[5-[3-(4-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide (CID 137111689) is N-[5-[3-(4-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide.

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

The canonical SMILES for N-[5-[3-(4-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide is CCCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccccn6)ccnc5[nH]4)c3c2)c1.

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

The InChIKey is FXMQRUKVRRQBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N7O/c1-2-5-26(36)32-19-12-18(15-29-16-19)17-7-8-24-22(13-17)27(35-34-24)25-14-21-20(9-11-31-28(21)33-25)23-6-3-4-10-30-23/h3-4,6-16H,2,5H2,1H3,(H,31,33)(H,32,36)(H,34,35).

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

N-[5-[3-(4-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide has a molecular weight of 473.54 g/mol, XLogP of 5.97, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[3-(4-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide is sourced from PubChem (CID 137111689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).