4-[8-(methylamino)-3-(3-methylpiperidin-1-yl)imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide

C26H26F3N7O — CID 123385122

About 4-[8-(methylamino)-3-(3-methylpiperidin-1-yl)imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide

4-[8-(methylamino)-3-(3-methylpiperidin-1-yl)imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide (PubChem CID 123385122) has the molecular formula C26H26F3N7O and a molecular weight of 509.54 g/mol. Its IUPAC name is 4-[8-(methylamino)-3-(3-methylpiperidin-1-yl)imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide.

Molecular Properties

• Compound Name: 4-[8-(methylamino)-3-(3-methylpiperidin-1-yl)imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
• PubChem CID: 123385122
• Molecular Formula: C26H26F3N7O
• Molecular Weight: 509.54 g/mol
• Exact Mass: 509.22
• IUPAC Name: 4-[8-(methylamino)-3-(3-methylpiperidin-1-yl)imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
• SMILES: CNc1nccn2c(N3CCCC(C)C3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12
• InChI: InChI=1S/C26H26F3N7O/c1-16-4-3-12-35(15-16)25-34-21(22-23(30-2)32-11-13-36(22)25)17-5-7-18(8-6-17)24(37)33-20-14-19(9-10-31-20)26(27,28)29/h5-11,13-14,16H,3-4,12,15H2,1-2H3,(H,30,32)(H,31,33,37)
• InChIKey: GCUXIBBZEAXBSQ-UHFFFAOYSA-N
• XLogP: 5.34
• TPSA: 87.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	509.54
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[8-(methylamino)-3-(3-methylpiperidin-1-yl)imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide?

The IUPAC name of 4-[8-(methylamino)-3-(3-methylpiperidin-1-yl)imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide (CID 123385122) is 4-[8-(methylamino)-3-(3-methylpiperidin-1-yl)imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide.

What is the SMILES notation for 4-[8-(methylamino)-3-(3-methylpiperidin-1-yl)imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide?

The canonical SMILES for 4-[8-(methylamino)-3-(3-methylpiperidin-1-yl)imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide is CNc1nccn2c(N3CCCC(C)C3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12.

What is the InChIKey of 4-[8-(methylamino)-3-(3-methylpiperidin-1-yl)imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide?

The InChIKey is GCUXIBBZEAXBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F3N7O/c1-16-4-3-12-35(15-16)25-34-21(22-23(30-2)32-11-13-36(22)25)17-5-7-18(8-6-17)24(37)33-20-14-19(9-10-31-20)26(27,28)29/h5-11,13-14,16H,3-4,12,15H2,1-2H3,(H,30,32)(H,31,33,37).

What are the key properties of 4-[8-(methylamino)-3-(3-methylpiperidin-1-yl)imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide?

4-[8-(methylamino)-3-(3-methylpiperidin-1-yl)imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide has a molecular weight of 509.54 g/mol, XLogP of 5.34, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[8-(methylamino)-3-(3-methylpiperidin-1-yl)imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide is sourced from PubChem (CID 123385122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).