1-[1-[3-[7-(1,3-dimethylpyrazol-4-yl)-6-fluoroquinolin-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2,2,2-trifluoroethyl]pyrrolidin-3-amine

C26H24F4N8 — CID 123861291

About 1-[1-[3-[7-(1,3-dimethylpyrazol-4-yl)-6-fluoroquinolin-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2,2,2-trifluoroethyl]pyrrolidin-3-amine

1-[1-[3-[7-(1,3-dimethylpyrazol-4-yl)-6-fluoroquinolin-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2,2,2-trifluoroethyl]pyrrolidin-3-amine (PubChem CID 123861291) has the molecular formula C26H24F4N8 and a molecular weight of 524.53 g/mol. Its IUPAC name is 1-[1-[3-[7-(1,3-dimethylpyrazol-4-yl)-6-fluoroquinolin-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2,2,2-trifluoroethyl]pyrrolidin-3-amine.

Molecular Properties

• Compound Name: 1-[1-[3-[7-(1,3-dimethylpyrazol-4-yl)-6-fluoroquinolin-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2,2,2-trifluoroethyl]pyrrolidin-3-amine
• PubChem CID: 123861291
• Molecular Formula: C26H24F4N8
• Molecular Weight: 524.53 g/mol
• Exact Mass: 524.21
• IUPAC Name: 1-[1-[3-[7-(1,3-dimethylpyrazol-4-yl)-6-fluoroquinolin-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2,2,2-trifluoroethyl]pyrrolidin-3-amine
• SMILES: Cc1nn(C)cc1-c1cc2nc(-c3nnc4ccc(C(N5CCC(N)C5)C(F)(F)F)cn34)ccc2cc1F
• InChI: InChI=1S/C26H24F4N8/c1-14-19(13-36(2)35-14)18-10-22-15(9-20(18)27)3-5-21(32-22)25-34-33-23-6-4-16(11-38(23)25)24(26(28,29)30)37-8-7-17(31)12-37/h3-6,9-11,13,17,24H,7-8,12,31H2,1-2H3
• InChIKey: CDGWFAGZBHZVHB-UHFFFAOYSA-N
• XLogP: 4.43
• TPSA: 90.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.53
LogP ≤ 5	4.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-[7-(1,3-dimethylpyrazol-4-yl)-6-fluoroquinolin-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2,2,2-trifluoroethyl]pyrrolidin-3-amine?

The IUPAC name of 1-[1-[3-[7-(1,3-dimethylpyrazol-4-yl)-6-fluoroquinolin-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2,2,2-trifluoroethyl]pyrrolidin-3-amine (CID 123861291) is 1-[1-[3-[7-(1,3-dimethylpyrazol-4-yl)-6-fluoroquinolin-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2,2,2-trifluoroethyl]pyrrolidin-3-amine.

What is the SMILES notation for 1-[1-[3-[7-(1,3-dimethylpyrazol-4-yl)-6-fluoroquinolin-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2,2,2-trifluoroethyl]pyrrolidin-3-amine?

The canonical SMILES for 1-[1-[3-[7-(1,3-dimethylpyrazol-4-yl)-6-fluoroquinolin-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2,2,2-trifluoroethyl]pyrrolidin-3-amine is Cc1nn(C)cc1-c1cc2nc(-c3nnc4ccc(C(N5CCC(N)C5)C(F)(F)F)cn34)ccc2cc1F.

What is the InChIKey of 1-[1-[3-[7-(1,3-dimethylpyrazol-4-yl)-6-fluoroquinolin-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2,2,2-trifluoroethyl]pyrrolidin-3-amine?

The InChIKey is CDGWFAGZBHZVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F4N8/c1-14-19(13-36(2)35-14)18-10-22-15(9-20(18)27)3-5-21(32-22)25-34-33-23-6-4-16(11-38(23)25)24(26(28,29)30)37-8-7-17(31)12-37/h3-6,9-11,13,17,24H,7-8,12,31H2,1-2H3.

What are the key properties of 1-[1-[3-[7-(1,3-dimethylpyrazol-4-yl)-6-fluoroquinolin-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2,2,2-trifluoroethyl]pyrrolidin-3-amine?

1-[1-[3-[7-(1,3-dimethylpyrazol-4-yl)-6-fluoroquinolin-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2,2,2-trifluoroethyl]pyrrolidin-3-amine has a molecular weight of 524.53 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[3-[7-(1,3-dimethylpyrazol-4-yl)-6-fluoroquinolin-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2,2,2-trifluoroethyl]pyrrolidin-3-amine is sourced from PubChem (CID 123861291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).