1-[6-[4-[(4-chloro-1H-indazol-5-yl)amino]pyrimidin-2-yl]-1H-indol-2-yl]-2-pyridazin-4-ylethanone

C25H17ClN8O — CID 147565637

About 1-[6-[4-[(4-chloro-1H-indazol-5-yl)amino]pyrimidin-2-yl]-1H-indol-2-yl]-2-pyridazin-4-ylethanone

1-[6-[4-[(4-chloro-1H-indazol-5-yl)amino]pyrimidin-2-yl]-1H-indol-2-yl]-2-pyridazin-4-ylethanone (PubChem CID 147565637) has the molecular formula C25H17ClN8O and a molecular weight of 480.92 g/mol. Its IUPAC name is 1-[6-[4-[(4-chloro-1H-indazol-5-yl)amino]pyrimidin-2-yl]-1H-indol-2-yl]-2-pyridazin-4-ylethanone.

Molecular Properties

• Compound Name: 1-[6-[4-[(4-chloro-1H-indazol-5-yl)amino]pyrimidin-2-yl]-1H-indol-2-yl]-2-pyridazin-4-ylethanone
• PubChem CID: 147565637
• Molecular Formula: C25H17ClN8O
• Molecular Weight: 480.92 g/mol
• Exact Mass: 480.12
• IUPAC Name: 1-[6-[4-[(4-chloro-1H-indazol-5-yl)amino]pyrimidin-2-yl]-1H-indol-2-yl]-2-pyridazin-4-ylethanone
• SMILES: O=C(Cc1ccnnc1)c1cc2ccc(-c3nccc(Nc4ccc5[nH]ncc5c4Cl)n3)cc2[nH]1
• InChI: InChI=1S/C25H17ClN8O/c26-24-17-13-30-34-18(17)3-4-19(24)32-23-6-7-27-25(33-23)16-2-1-15-10-21(31-20(15)11-16)22(35)9-14-5-8-28-29-12-14/h1-8,10-13,31H,9H2,(H,30,34)(H,27,32,33)
• InChIKey: FTMWKVQQUBQVPR-UHFFFAOYSA-N
• XLogP: 5.11
• TPSA: 125.13 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.92
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[6-[4-[(4-chloro-1H-indazol-5-yl)amino]pyrimidin-2-yl]-1H-indol-2-yl]-2-pyridazin-4-ylethanone?

The IUPAC name of 1-[6-[4-[(4-chloro-1H-indazol-5-yl)amino]pyrimidin-2-yl]-1H-indol-2-yl]-2-pyridazin-4-ylethanone (CID 147565637) is 1-[6-[4-[(4-chloro-1H-indazol-5-yl)amino]pyrimidin-2-yl]-1H-indol-2-yl]-2-pyridazin-4-ylethanone.

What is the SMILES notation for 1-[6-[4-[(4-chloro-1H-indazol-5-yl)amino]pyrimidin-2-yl]-1H-indol-2-yl]-2-pyridazin-4-ylethanone?

The canonical SMILES for 1-[6-[4-[(4-chloro-1H-indazol-5-yl)amino]pyrimidin-2-yl]-1H-indol-2-yl]-2-pyridazin-4-ylethanone is O=C(Cc1ccnnc1)c1cc2ccc(-c3nccc(Nc4ccc5[nH]ncc5c4Cl)n3)cc2[nH]1.

What is the InChIKey of 1-[6-[4-[(4-chloro-1H-indazol-5-yl)amino]pyrimidin-2-yl]-1H-indol-2-yl]-2-pyridazin-4-ylethanone?

The InChIKey is FTMWKVQQUBQVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17ClN8O/c26-24-17-13-30-34-18(17)3-4-19(24)32-23-6-7-27-25(33-23)16-2-1-15-10-21(31-20(15)11-16)22(35)9-14-5-8-28-29-12-14/h1-8,10-13,31H,9H2,(H,30,34)(H,27,32,33).

What are the key properties of 1-[6-[4-[(4-chloro-1H-indazol-5-yl)amino]pyrimidin-2-yl]-1H-indol-2-yl]-2-pyridazin-4-ylethanone?

1-[6-[4-[(4-chloro-1H-indazol-5-yl)amino]pyrimidin-2-yl]-1H-indol-2-yl]-2-pyridazin-4-ylethanone has a molecular weight of 480.92 g/mol, XLogP of 5.11, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-[4-[(4-chloro-1H-indazol-5-yl)amino]pyrimidin-2-yl]-1H-indol-2-yl]-2-pyridazin-4-ylethanone is sourced from PubChem (CID 147565637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).