2-(5-chloropyridazin-4-yl)-1-[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indol-2-yl]ethanone

C25H17ClN8O — CID 147495090

About 2-(5-chloropyridazin-4-yl)-1-[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indol-2-yl]ethanone

2-(5-chloropyridazin-4-yl)-1-[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indol-2-yl]ethanone (PubChem CID 147495090) has the molecular formula C25H17ClN8O and a molecular weight of 480.92 g/mol. Its IUPAC name is 2-(5-chloropyridazin-4-yl)-1-[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indol-2-yl]ethanone.

Molecular Properties

• Compound Name: 2-(5-chloropyridazin-4-yl)-1-[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indol-2-yl]ethanone
• PubChem CID: 147495090
• Molecular Formula: C25H17ClN8O
• Molecular Weight: 480.92 g/mol
• Exact Mass: 480.12
• IUPAC Name: 2-(5-chloropyridazin-4-yl)-1-[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indol-2-yl]ethanone
• SMILES: O=C(Cc1cnncc1Cl)c1cc2ccc(-c3nccc(Nc4ccc5[nH]ncc5c4)n3)cc2[nH]1
• InChI: InChI=1S/C25H17ClN8O/c26-19-13-29-28-11-16(19)10-23(35)22-8-14-1-2-15(9-21(14)32-22)25-27-6-5-24(33-25)31-18-3-4-20-17(7-18)12-30-34-20/h1-9,11-13,32H,10H2,(H,30,34)(H,27,31,33)
• InChIKey: FGHCIPNBPWRJDZ-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 2-(5-chloropyridazin-4-yl)-1-[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indol-2-yl]ethanone?

The IUPAC name of 2-(5-chloropyridazin-4-yl)-1-[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indol-2-yl]ethanone (CID 147495090) is 2-(5-chloropyridazin-4-yl)-1-[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indol-2-yl]ethanone.

What is the SMILES notation for 2-(5-chloropyridazin-4-yl)-1-[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indol-2-yl]ethanone?

The canonical SMILES for 2-(5-chloropyridazin-4-yl)-1-[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indol-2-yl]ethanone is O=C(Cc1cnncc1Cl)c1cc2ccc(-c3nccc(Nc4ccc5[nH]ncc5c4)n3)cc2[nH]1.

What is the InChIKey of 2-(5-chloropyridazin-4-yl)-1-[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indol-2-yl]ethanone?

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

What are the key properties of 2-(5-chloropyridazin-4-yl)-1-[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indol-2-yl]ethanone?

2-(5-chloropyridazin-4-yl)-1-[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indol-2-yl]ethanone 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 2-(5-chloropyridazin-4-yl)-1-[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indol-2-yl]ethanone is sourced from PubChem (CID 147495090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).