N-(1-tert-butyl-5-fluoropyrazol-4-yl)-5-[2-(dimethylamino)-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2-fluoro-4-methylbenzamide

C27H32F2N8O2 — CID 169077733

About N-(1-tert-butyl-5-fluoropyrazol-4-yl)-5-[2-(dimethylamino)-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2-fluoro-4-methylbenzamide

N-(1-tert-butyl-5-fluoropyrazol-4-yl)-5-[2-(dimethylamino)-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2-fluoro-4-methylbenzamide (PubChem CID 169077733) has the molecular formula C27H32F2N8O2 and a molecular weight of 538.60 g/mol. Its IUPAC name is N-(1-tert-butyl-5-fluoropyrazol-4-yl)-5-[2-(dimethylamino)-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2-fluoro-4-methylbenzamide.

Molecular Properties

• Compound Name: N-(1-tert-butyl-5-fluoropyrazol-4-yl)-5-[2-(dimethylamino)-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2-fluoro-4-methylbenzamide
• PubChem CID: 169077733
• Molecular Formula: C27H32F2N8O2
• Molecular Weight: 538.60 g/mol
• Exact Mass: 538.26
• IUPAC Name: N-(1-tert-butyl-5-fluoropyrazol-4-yl)-5-[2-(dimethylamino)-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2-fluoro-4-methylbenzamide
• SMILES: Cc1cc(F)c(C(=O)Nc2cnn(C(C)(C)C)c2F)cc1-c1cc(N2CCOCC2)c2nc(N(C)C)nn2c1
• InChI: InChI=1S/C27H32F2N8O2/c1-16-11-20(28)19(25(38)31-21-14-30-37(23(21)29)27(2,3)4)13-18(16)17-12-22(35-7-9-39-10-8-35)24-32-26(34(5)6)33-36(24)15-17/h11-15H,7-10H2,1-6H3,(H,31,38)
• InChIKey: JTHCJUQVFDYWHA-UHFFFAOYSA-N
• XLogP: 4.09
• TPSA: 92.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	538.60
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butyl-5-fluoropyrazol-4-yl)-5-[2-(dimethylamino)-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2-fluoro-4-methylbenzamide?

The IUPAC name of N-(1-tert-butyl-5-fluoropyrazol-4-yl)-5-[2-(dimethylamino)-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2-fluoro-4-methylbenzamide (CID 169077733) is N-(1-tert-butyl-5-fluoropyrazol-4-yl)-5-[2-(dimethylamino)-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2-fluoro-4-methylbenzamide.

What is the SMILES notation for N-(1-tert-butyl-5-fluoropyrazol-4-yl)-5-[2-(dimethylamino)-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2-fluoro-4-methylbenzamide?

The canonical SMILES for N-(1-tert-butyl-5-fluoropyrazol-4-yl)-5-[2-(dimethylamino)-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2-fluoro-4-methylbenzamide is Cc1cc(F)c(C(=O)Nc2cnn(C(C)(C)C)c2F)cc1-c1cc(N2CCOCC2)c2nc(N(C)C)nn2c1.

What is the InChIKey of N-(1-tert-butyl-5-fluoropyrazol-4-yl)-5-[2-(dimethylamino)-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2-fluoro-4-methylbenzamide?

The InChIKey is JTHCJUQVFDYWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32F2N8O2/c1-16-11-20(28)19(25(38)31-21-14-30-37(23(21)29)27(2,3)4)13-18(16)17-12-22(35-7-9-39-10-8-35)24-32-26(34(5)6)33-36(24)15-17/h11-15H,7-10H2,1-6H3,(H,31,38).

What are the key properties of N-(1-tert-butyl-5-fluoropyrazol-4-yl)-5-[2-(dimethylamino)-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2-fluoro-4-methylbenzamide?

N-(1-tert-butyl-5-fluoropyrazol-4-yl)-5-[2-(dimethylamino)-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2-fluoro-4-methylbenzamide has a molecular weight of 538.60 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-tert-butyl-5-fluoropyrazol-4-yl)-5-[2-(dimethylamino)-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2-fluoro-4-methylbenzamide is sourced from PubChem (CID 169077733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).