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

C26H29F2N7O2 — CID 169077747

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

N-(1-tert-butyl-5-fluoropyrazol-4-yl)-2-fluoro-4-methyl-5-(2-methyl-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide (PubChem CID 169077747) has the molecular formula C26H29F2N7O2 and a molecular weight of 509.56 g/mol. Its IUPAC name is N-(1-tert-butyl-5-fluoropyrazol-4-yl)-2-fluoro-4-methyl-5-(2-methyl-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide.

Molecular Properties

• Compound Name: N-(1-tert-butyl-5-fluoropyrazol-4-yl)-2-fluoro-4-methyl-5-(2-methyl-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide
• PubChem CID: 169077747
• Molecular Formula: C26H29F2N7O2
• Molecular Weight: 509.56 g/mol
• Exact Mass: 509.24
• IUPAC Name: N-(1-tert-butyl-5-fluoropyrazol-4-yl)-2-fluoro-4-methyl-5-(2-methyl-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide
• SMILES: Cc1nc2c(N3CCOCC3)cc(-c3cc(C(=O)Nc4cnn(C(C)(C)C)c4F)c(F)cc3C)cn2n1
• InChI: InChI=1S/C26H29F2N7O2/c1-15-10-20(27)19(25(36)31-21-13-29-35(23(21)28)26(3,4)5)12-18(15)17-11-22(33-6-8-37-9-7-33)24-30-16(2)32-34(24)14-17/h10-14H,6-9H2,1-5H3,(H,31,36)
• InChIKey: ZXUFYYRHUVRUGL-UHFFFAOYSA-N
• XLogP: 4.33
• TPSA: 89.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.56
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-(1-tert-butyl-5-fluoropyrazol-4-yl)-2-fluoro-4-methyl-5-(2-methyl-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide (CID 169077747) is N-(1-tert-butyl-5-fluoropyrazol-4-yl)-2-fluoro-4-methyl-5-(2-methyl-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide.

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

The canonical SMILES for N-(1-tert-butyl-5-fluoropyrazol-4-yl)-2-fluoro-4-methyl-5-(2-methyl-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide is Cc1nc2c(N3CCOCC3)cc(-c3cc(C(=O)Nc4cnn(C(C)(C)C)c4F)c(F)cc3C)cn2n1.

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

The InChIKey is ZXUFYYRHUVRUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F2N7O2/c1-15-10-20(27)19(25(36)31-21-13-29-35(23(21)28)26(3,4)5)12-18(15)17-11-22(33-6-8-37-9-7-33)24-30-16(2)32-34(24)14-17/h10-14H,6-9H2,1-5H3,(H,31,36).

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

N-(1-tert-butyl-5-fluoropyrazol-4-yl)-2-fluoro-4-methyl-5-(2-methyl-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide has a molecular weight of 509.56 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-tert-butyl-5-fluoropyrazol-4-yl)-2-fluoro-4-methyl-5-(2-methyl-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide is sourced from PubChem (CID 169077747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).