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

C27H21FN6 — CID 137114147

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

5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-N,N-dimethylpyridin-3-amine (PubChem CID 137114147) has the molecular formula C27H21FN6 and a molecular weight of 448.51 g/mol. Its IUPAC name is 5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-N,N-dimethylpyridin-3-amine.

Molecular Properties

• Compound Name: 5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-N,N-dimethylpyridin-3-amine
• PubChem CID: 137114147
• Molecular Formula: C27H21FN6
• Molecular Weight: 448.51 g/mol
• Exact Mass: 448.18
• IUPAC Name: 5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-N,N-dimethylpyridin-3-amine
• SMILES: CN(C)c1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cccc(F)c6)nccc5[nH]4)c3c2)c1
• InChI: InChI=1S/C27H21FN6/c1-34(2)20-11-18(14-29-15-20)16-6-7-24-21(12-16)27(33-32-24)25-13-22-23(31-25)8-9-30-26(22)17-4-3-5-19(28)10-17/h3-15,31H,1-2H3,(H,32,33)
• InChIKey: JILGCPXOZTUKKN-UHFFFAOYSA-N
• XLogP: 6.04
• TPSA: 73.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	448.51
LogP ≤ 5	6.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-N,N-dimethylpyridin-3-amine (CID 137114147) is 5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-N,N-dimethylpyridin-3-amine.

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

The canonical SMILES for 5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-N,N-dimethylpyridin-3-amine is CN(C)c1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cccc(F)c6)nccc5[nH]4)c3c2)c1.

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

The InChIKey is JILGCPXOZTUKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21FN6/c1-34(2)20-11-18(14-29-15-20)16-6-7-24-21(12-16)27(33-32-24)25-13-22-23(31-25)8-9-30-26(22)17-4-3-5-19(28)10-17/h3-15,31H,1-2H3,(H,32,33).

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

5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-N,N-dimethylpyridin-3-amine has a molecular weight of 448.51 g/mol, XLogP of 6.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-N,N-dimethylpyridin-3-amine is sourced from PubChem (CID 137114147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).