N-(3-methylbut-1-en-2-yl)-5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine

C29H25N7 — CID 137087675

About N-(3-methylbut-1-en-2-yl)-5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine

N-(3-methylbut-1-en-2-yl)-5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine (PubChem CID 137087675) has the molecular formula C29H25N7 and a molecular weight of 471.57 g/mol. Its IUPAC name is N-(3-methylbut-1-en-2-yl)-5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine.

Molecular Properties

• Compound Name: N-(3-methylbut-1-en-2-yl)-5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine
• PubChem CID: 137087675
• Molecular Formula: C29H25N7
• Molecular Weight: 471.57 g/mol
• Exact Mass: 471.22
• IUPAC Name: N-(3-methylbut-1-en-2-yl)-5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine
• SMILES: C=C(Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cccnc6)cncc5[nH]4)c3c2)c1)C(C)C
• InChI: InChI=1S/C29H25N7/c1-17(2)18(3)33-22-9-21(13-31-14-22)19-6-7-26-24(10-19)29(36-35-26)27-11-23-25(15-32-16-28(23)34-27)20-5-4-8-30-12-20/h4-17,33-34H,3H2,1-2H3,(H,35,36)
• InChIKey: HBVIRKHKZSLHLJ-UHFFFAOYSA-N
• XLogP: 6.81
• TPSA: 95.17 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	471.57
LogP ≤ 5	6.81
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbut-1-en-2-yl)-5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine?

The IUPAC name of N-(3-methylbut-1-en-2-yl)-5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine (CID 137087675) is N-(3-methylbut-1-en-2-yl)-5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine.

What is the SMILES notation for N-(3-methylbut-1-en-2-yl)-5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine?

The canonical SMILES for N-(3-methylbut-1-en-2-yl)-5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine is C=C(Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cccnc6)cncc5[nH]4)c3c2)c1)C(C)C.

What is the InChIKey of N-(3-methylbut-1-en-2-yl)-5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine?

The InChIKey is HBVIRKHKZSLHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N7/c1-17(2)18(3)33-22-9-21(13-31-14-22)19-6-7-26-24(10-19)29(36-35-26)27-11-23-25(15-32-16-28(23)34-27)20-5-4-8-30-12-20/h4-17,33-34H,3H2,1-2H3,(H,35,36).

What are the key properties of N-(3-methylbut-1-en-2-yl)-5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine?

N-(3-methylbut-1-en-2-yl)-5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine has a molecular weight of 471.57 g/mol, XLogP of 6.81, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-methylbut-1-en-2-yl)-5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine is sourced from PubChem (CID 137087675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).