5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[3,5-difluoro-2-(2-methyloxan-4-yl)oxyphenyl]methyl]-2,6-dimethylpyridine-3-carboxamide

C27H28F2N6O3 — CID 152580967

About 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[3,5-difluoro-2-(2-methyloxan-4-yl)oxyphenyl]methyl]-2,6-dimethylpyridine-3-carboxamide

5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[3,5-difluoro-2-(2-methyloxan-4-yl)oxyphenyl]methyl]-2,6-dimethylpyridine-3-carboxamide (PubChem CID 152580967) has the molecular formula C27H28F2N6O3 and a molecular weight of 522.56 g/mol. Its IUPAC name is 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[3,5-difluoro-2-(2-methyloxan-4-yl)oxyphenyl]methyl]-2,6-dimethylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[3,5-difluoro-2-(2-methyloxan-4-yl)oxyphenyl]methyl]-2,6-dimethylpyridine-3-carboxamide
• PubChem CID: 152580967
• Molecular Formula: C27H28F2N6O3
• Molecular Weight: 522.56 g/mol
• Exact Mass: 522.22
• IUPAC Name: 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[3,5-difluoro-2-(2-methyloxan-4-yl)oxyphenyl]methyl]-2,6-dimethylpyridine-3-carboxamide
• SMILES: Cc1nc(C)c(-c2ccn3nc(N)nc3c2)cc1C(=O)NCc1cc(F)cc(F)c1OC1CCOC(C)C1
• InChI: InChI=1S/C27H28F2N6O3/c1-14-8-20(5-7-37-14)38-25-18(9-19(28)11-23(25)29)13-31-26(36)22-12-21(15(2)32-16(22)3)17-4-6-35-24(10-17)33-27(30)34-35/h4,6,9-12,14,20H,5,7-8,13H2,1-3H3,(H2,30,34)(H,31,36)
• InChIKey: YTLSDLUDKQHQCO-UHFFFAOYSA-N
• XLogP: 4.14
• TPSA: 116.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.56
LogP ≤ 5	4.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[3,5-difluoro-2-(2-methyloxan-4-yl)oxyphenyl]methyl]-2,6-dimethylpyridine-3-carboxamide?

The IUPAC name of 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[3,5-difluoro-2-(2-methyloxan-4-yl)oxyphenyl]methyl]-2,6-dimethylpyridine-3-carboxamide (CID 152580967) is 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[3,5-difluoro-2-(2-methyloxan-4-yl)oxyphenyl]methyl]-2,6-dimethylpyridine-3-carboxamide.

What is the SMILES notation for 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[3,5-difluoro-2-(2-methyloxan-4-yl)oxyphenyl]methyl]-2,6-dimethylpyridine-3-carboxamide?

The canonical SMILES for 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[3,5-difluoro-2-(2-methyloxan-4-yl)oxyphenyl]methyl]-2,6-dimethylpyridine-3-carboxamide is Cc1nc(C)c(-c2ccn3nc(N)nc3c2)cc1C(=O)NCc1cc(F)cc(F)c1OC1CCOC(C)C1.

What is the InChIKey of 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[3,5-difluoro-2-(2-methyloxan-4-yl)oxyphenyl]methyl]-2,6-dimethylpyridine-3-carboxamide?

The InChIKey is YTLSDLUDKQHQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F2N6O3/c1-14-8-20(5-7-37-14)38-25-18(9-19(28)11-23(25)29)13-31-26(36)22-12-21(15(2)32-16(22)3)17-4-6-35-24(10-17)33-27(30)34-35/h4,6,9-12,14,20H,5,7-8,13H2,1-3H3,(H2,30,34)(H,31,36).

What are the key properties of 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[3,5-difluoro-2-(2-methyloxan-4-yl)oxyphenyl]methyl]-2,6-dimethylpyridine-3-carboxamide?

5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[3,5-difluoro-2-(2-methyloxan-4-yl)oxyphenyl]methyl]-2,6-dimethylpyridine-3-carboxamide has a molecular weight of 522.56 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[3,5-difluoro-2-(2-methyloxan-4-yl)oxyphenyl]methyl]-2,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 152580967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).