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

C26H21N7 — CID 137087139

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

N,N-dimethyl-5-[3-(4-pyridin-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine (PubChem CID 137087139) has the molecular formula C26H21N7 and a molecular weight of 431.50 g/mol. Its IUPAC name is N,N-dimethyl-5-[3-(4-pyridin-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine.

Molecular Properties

• Compound Name: N,N-dimethyl-5-[3-(4-pyridin-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine
• PubChem CID: 137087139
• Molecular Formula: C26H21N7
• Molecular Weight: 431.50 g/mol
• Exact Mass: 431.19
• IUPAC Name: N,N-dimethyl-5-[3-(4-pyridin-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine
• SMILES: CN(C)c1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cccnc6)nccc5[nH]4)c3c2)c1
• InChI: InChI=1S/C26H21N7/c1-33(2)19-10-18(14-28-15-19)16-5-6-23-20(11-16)26(32-31-23)24-12-21-22(30-24)7-9-29-25(21)17-4-3-8-27-13-17/h3-15,30H,1-2H3,(H,31,32)
• InChIKey: YFAANMFJLBJGDR-UHFFFAOYSA-N
• XLogP: 5.30
• TPSA: 86.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	431.50
LogP ≤ 5	5.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N,N-dimethyl-5-[3-(4-pyridin-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine (CID 137087139) is N,N-dimethyl-5-[3-(4-pyridin-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine.

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

The canonical SMILES for N,N-dimethyl-5-[3-(4-pyridin-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine is CN(C)c1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cccnc6)nccc5[nH]4)c3c2)c1.

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

The InChIKey is YFAANMFJLBJGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N7/c1-33(2)19-10-18(14-28-15-19)16-5-6-23-20(11-16)26(32-31-23)24-12-21-22(30-24)7-9-29-25(21)17-4-3-8-27-13-17/h3-15,30H,1-2H3,(H,31,32).

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

N,N-dimethyl-5-[3-(4-pyridin-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine has a molecular weight of 431.50 g/mol, XLogP of 5.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-5-[3-(4-pyridin-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine is sourced from PubChem (CID 137087139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).