[6-[3-[(8-chloro-[1,2,4]triazolo[4,3-a]quinazolin-5-yl)-methylamino]phenyl]-2,6-diazaspiro[3.3]heptan-2-yl]-cyclopropylmethanone

C25H24ClN7O — CID 156536476

About [6-[3-[(8-chloro-[1,2,4]triazolo[4,3-a]quinazolin-5-yl)-methylamino]phenyl]-2,6-diazaspiro[3.3]heptan-2-yl]-cyclopropylmethanone

[6-[3-[(8-chloro-[1,2,4]triazolo[4,3-a]quinazolin-5-yl)-methylamino]phenyl]-2,6-diazaspiro[3.3]heptan-2-yl]-cyclopropylmethanone (PubChem CID 156536476) has the molecular formula C25H24ClN7O and a molecular weight of 473.97 g/mol. Its IUPAC name is [6-[3-[(8-chloro-[1,2,4]triazolo[4,3-a]quinazolin-5-yl)-methylamino]phenyl]-2,6-diazaspiro[3.3]heptan-2-yl]-cyclopropylmethanone.

Molecular Properties

• Compound Name: [6-[3-[(8-chloro-[1,2,4]triazolo[4,3-a]quinazolin-5-yl)-methylamino]phenyl]-2,6-diazaspiro[3.3]heptan-2-yl]-cyclopropylmethanone
• PubChem CID: 156536476
• Molecular Formula: C25H24ClN7O
• Molecular Weight: 473.97 g/mol
• Exact Mass: 473.17
• IUPAC Name: [6-[3-[(8-chloro-[1,2,4]triazolo[4,3-a]quinazolin-5-yl)-methylamino]phenyl]-2,6-diazaspiro[3.3]heptan-2-yl]-cyclopropylmethanone
• SMILES: CN(c1cccc(N2CC3(CN(C(=O)C4CC4)C3)C2)c1)c1nc2nncn2c2cc(Cl)ccc12
• InChI: InChI=1S/C25H24ClN7O/c1-30(22-20-8-7-17(26)9-21(20)33-15-27-29-24(33)28-22)18-3-2-4-19(10-18)31-11-25(12-31)13-32(14-25)23(34)16-5-6-16/h2-4,7-10,15-16H,5-6,11-14H2,1H3
• InChIKey: VPSZDQAXFQEATJ-UHFFFAOYSA-N
• XLogP: 3.76
• TPSA: 69.87 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.97
LogP ≤ 5	3.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [6-[3-[(8-chloro-[1,2,4]triazolo[4,3-a]quinazolin-5-yl)-methylamino]phenyl]-2,6-diazaspiro[3.3]heptan-2-yl]-cyclopropylmethanone?

The IUPAC name of [6-[3-[(8-chloro-[1,2,4]triazolo[4,3-a]quinazolin-5-yl)-methylamino]phenyl]-2,6-diazaspiro[3.3]heptan-2-yl]-cyclopropylmethanone (CID 156536476) is [6-[3-[(8-chloro-[1,2,4]triazolo[4,3-a]quinazolin-5-yl)-methylamino]phenyl]-2,6-diazaspiro[3.3]heptan-2-yl]-cyclopropylmethanone.

What is the SMILES notation for [6-[3-[(8-chloro-[1,2,4]triazolo[4,3-a]quinazolin-5-yl)-methylamino]phenyl]-2,6-diazaspiro[3.3]heptan-2-yl]-cyclopropylmethanone?

The canonical SMILES for [6-[3-[(8-chloro-[1,2,4]triazolo[4,3-a]quinazolin-5-yl)-methylamino]phenyl]-2,6-diazaspiro[3.3]heptan-2-yl]-cyclopropylmethanone is CN(c1cccc(N2CC3(CN(C(=O)C4CC4)C3)C2)c1)c1nc2nncn2c2cc(Cl)ccc12.

What is the InChIKey of [6-[3-[(8-chloro-[1,2,4]triazolo[4,3-a]quinazolin-5-yl)-methylamino]phenyl]-2,6-diazaspiro[3.3]heptan-2-yl]-cyclopropylmethanone?

The InChIKey is VPSZDQAXFQEATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN7O/c1-30(22-20-8-7-17(26)9-21(20)33-15-27-29-24(33)28-22)18-3-2-4-19(10-18)31-11-25(12-31)13-32(14-25)23(34)16-5-6-16/h2-4,7-10,15-16H,5-6,11-14H2,1H3.

What are the key properties of [6-[3-[(8-chloro-[1,2,4]triazolo[4,3-a]quinazolin-5-yl)-methylamino]phenyl]-2,6-diazaspiro[3.3]heptan-2-yl]-cyclopropylmethanone?

[6-[3-[(8-chloro-[1,2,4]triazolo[4,3-a]quinazolin-5-yl)-methylamino]phenyl]-2,6-diazaspiro[3.3]heptan-2-yl]-cyclopropylmethanone has a molecular weight of 473.97 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [6-[3-[(8-chloro-[1,2,4]triazolo[4,3-a]quinazolin-5-yl)-methylamino]phenyl]-2,6-diazaspiro[3.3]heptan-2-yl]-cyclopropylmethanone is sourced from PubChem (CID 156536476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).