6-phenyl-N-[1-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]ethenyl]pyridin-3-amine

C30H28N6 — CID 134460432

About 6-phenyl-N-[1-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]ethenyl]pyridin-3-amine

6-phenyl-N-[1-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]ethenyl]pyridin-3-amine (PubChem CID 134460432) has the molecular formula C30H28N6 and a molecular weight of 472.60 g/mol. Its IUPAC name is 6-phenyl-N-[1-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]ethenyl]pyridin-3-amine.

Molecular Properties

• Compound Name: 6-phenyl-N-[1-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]ethenyl]pyridin-3-amine
• PubChem CID: 134460432
• Molecular Formula: C30H28N6
• Molecular Weight: 472.60 g/mol
• Exact Mass: 472.24
• IUPAC Name: 6-phenyl-N-[1-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]ethenyl]pyridin-3-amine
• SMILES: C=C(Nc1ccc(-c2ccccc2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCCC4)c3)cc12
• InChI: InChI=1S/C30H28N6/c1-21(33-26-10-12-28(32-19-26)23-7-3-2-4-8-23)30-27-16-24(9-11-29(27)34-35-30)25-15-22(17-31-18-25)20-36-13-5-6-14-36/h2-4,7-12,15-19,33H,1,5-6,13-14,20H2,(H,34,35)
• InChIKey: GUAGBWOILJTUTG-UHFFFAOYSA-N
• XLogP: 6.37
• TPSA: 69.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.60
LogP ≤ 5	6.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-N-[1-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]ethenyl]pyridin-3-amine?

The IUPAC name of 6-phenyl-N-[1-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]ethenyl]pyridin-3-amine (CID 134460432) is 6-phenyl-N-[1-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]ethenyl]pyridin-3-amine.

What is the SMILES notation for 6-phenyl-N-[1-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]ethenyl]pyridin-3-amine?

The canonical SMILES for 6-phenyl-N-[1-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]ethenyl]pyridin-3-amine is C=C(Nc1ccc(-c2ccccc2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCCC4)c3)cc12.

What is the InChIKey of 6-phenyl-N-[1-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]ethenyl]pyridin-3-amine?

The InChIKey is GUAGBWOILJTUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N6/c1-21(33-26-10-12-28(32-19-26)23-7-3-2-4-8-23)30-27-16-24(9-11-29(27)34-35-30)25-15-22(17-31-18-25)20-36-13-5-6-14-36/h2-4,7-12,15-19,33H,1,5-6,13-14,20H2,(H,34,35).

What are the key properties of 6-phenyl-N-[1-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]ethenyl]pyridin-3-amine?

6-phenyl-N-[1-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]ethenyl]pyridin-3-amine has a molecular weight of 472.60 g/mol, XLogP of 6.37, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-phenyl-N-[1-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]ethenyl]pyridin-3-amine is sourced from PubChem (CID 134460432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).