2-amino-N-[(2S)-butan-2-yl]-6-[1-[1-[6-(difluoromethyl)-3-pyridinyl]-2-methylpropyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide

C24H28F2N8O — CID 155214187

About 2-amino-N-[(2S)-butan-2-yl]-6-[1-[1-[6-(difluoromethyl)-3-pyridinyl]-2-methylpropyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide

2-amino-N-[(2S)-butan-2-yl]-6-[1-[1-[6-(difluoromethyl)-3-pyridinyl]-2-methylpropyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide (PubChem CID 155214187) has the molecular formula C24H28F2N8O and a molecular weight of 482.54 g/mol. Its IUPAC name is 2-amino-N-[(2S)-butan-2-yl]-6-[1-[1-[6-(difluoromethyl)-3-pyridinyl]-2-methylpropyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide.

Molecular Properties

• Compound Name: 2-amino-N-[(2S)-butan-2-yl]-6-[1-[1-[6-(difluoromethyl)-3-pyridinyl]-2-methylpropyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
• PubChem CID: 155214187
• Molecular Formula: C24H28F2N8O
• Molecular Weight: 482.54 g/mol
• Exact Mass: 482.24
• IUPAC Name: 2-amino-N-[(2S)-butan-2-yl]-6-[1-[1-[6-(difluoromethyl)-3-pyridinyl]-2-methylpropyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
• SMILES: CC[C@H](C)NC(=O)c1cc(-c2cnn(C(c3ccc(C(F)F)nc3)C(C)C)c2)cn2nc(N)nc12
• InChI: InChI=1S/C24H28F2N8O/c1-5-14(4)30-23(35)18-8-16(11-34-22(18)31-24(27)32-34)17-10-29-33(12-17)20(13(2)3)15-6-7-19(21(25)26)28-9-15/h6-14,20-21H,5H2,1-4H3,(H2,27,32)(H,30,35)/t14-,20?/m0/s1
• InChIKey: JDXNGIXUSVKCNQ-PVCZSOGJSA-N
• XLogP: 4.28
• TPSA: 116.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.54
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2S)-butan-2-yl]-6-[1-[1-[6-(difluoromethyl)-3-pyridinyl]-2-methylpropyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?

The IUPAC name of 2-amino-N-[(2S)-butan-2-yl]-6-[1-[1-[6-(difluoromethyl)-3-pyridinyl]-2-methylpropyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide (CID 155214187) is 2-amino-N-[(2S)-butan-2-yl]-6-[1-[1-[6-(difluoromethyl)-3-pyridinyl]-2-methylpropyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide.

What is the SMILES notation for 2-amino-N-[(2S)-butan-2-yl]-6-[1-[1-[6-(difluoromethyl)-3-pyridinyl]-2-methylpropyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?

The canonical SMILES for 2-amino-N-[(2S)-butan-2-yl]-6-[1-[1-[6-(difluoromethyl)-3-pyridinyl]-2-methylpropyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide is CC[C@H](C)NC(=O)c1cc(-c2cnn(C(c3ccc(C(F)F)nc3)C(C)C)c2)cn2nc(N)nc12.

What is the InChIKey of 2-amino-N-[(2S)-butan-2-yl]-6-[1-[1-[6-(difluoromethyl)-3-pyridinyl]-2-methylpropyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?

The InChIKey is JDXNGIXUSVKCNQ-PVCZSOGJSA-N. The full InChI is InChI=1S/C24H28F2N8O/c1-5-14(4)30-23(35)18-8-16(11-34-22(18)31-24(27)32-34)17-10-29-33(12-17)20(13(2)3)15-6-7-19(21(25)26)28-9-15/h6-14,20-21H,5H2,1-4H3,(H2,27,32)(H,30,35)/t14-,20?/m0/s1.

What are the key properties of 2-amino-N-[(2S)-butan-2-yl]-6-[1-[1-[6-(difluoromethyl)-3-pyridinyl]-2-methylpropyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?

2-amino-N-[(2S)-butan-2-yl]-6-[1-[1-[6-(difluoromethyl)-3-pyridinyl]-2-methylpropyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide has a molecular weight of 482.54 g/mol, XLogP of 4.28, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[(2S)-butan-2-yl]-6-[1-[1-[6-(difluoromethyl)-3-pyridinyl]-2-methylpropyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide is sourced from PubChem (CID 155214187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).