5-[5-amino-1-(1-prop-2-enoylpiperidin-3-yl)imidazo[1,5-c]pyrimidin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide

C26H23F3N8O2 — CID 134265100

About 5-[5-amino-1-(1-prop-2-enoylpiperidin-3-yl)imidazo[1,5-c]pyrimidin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide

5-[5-amino-1-(1-prop-2-enoylpiperidin-3-yl)imidazo[1,5-c]pyrimidin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide (PubChem CID 134265100) has the molecular formula C26H23F3N8O2 and a molecular weight of 536.52 g/mol. Its IUPAC name is 5-[5-amino-1-(1-prop-2-enoylpiperidin-3-yl)imidazo[1,5-c]pyrimidin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[5-amino-1-(1-prop-2-enoylpiperidin-3-yl)imidazo[1,5-c]pyrimidin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide
• PubChem CID: 134265100
• Molecular Formula: C26H23F3N8O2
• Molecular Weight: 536.52 g/mol
• Exact Mass: 536.19
• IUPAC Name: 5-[5-amino-1-(1-prop-2-enoylpiperidin-3-yl)imidazo[1,5-c]pyrimidin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide
• SMILES: C=CC(=O)N1CCCC(c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)nc3)n3c(N)nccc23)C1
• InChI: InChI=1S/C26H23F3N8O2/c1-2-21(38)36-11-3-4-16(14-36)22-19-8-10-32-25(30)37(19)23(35-22)15-5-6-18(33-13-15)24(39)34-20-12-17(7-9-31-20)26(27,28)29/h2,5-10,12-13,16H,1,3-4,11,14H2,(H2,30,32)(H,31,34,39)
• InChIKey: CKKZWUGKUXJVAZ-UHFFFAOYSA-N
• XLogP: 3.93
• TPSA: 131.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	536.52
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[5-amino-1-(1-prop-2-enoylpiperidin-3-yl)imidazo[1,5-c]pyrimidin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide?

The IUPAC name of 5-[5-amino-1-(1-prop-2-enoylpiperidin-3-yl)imidazo[1,5-c]pyrimidin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide (CID 134265100) is 5-[5-amino-1-(1-prop-2-enoylpiperidin-3-yl)imidazo[1,5-c]pyrimidin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide.

What is the SMILES notation for 5-[5-amino-1-(1-prop-2-enoylpiperidin-3-yl)imidazo[1,5-c]pyrimidin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide?

The canonical SMILES for 5-[5-amino-1-(1-prop-2-enoylpiperidin-3-yl)imidazo[1,5-c]pyrimidin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide is C=CC(=O)N1CCCC(c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)nc3)n3c(N)nccc23)C1.

What is the InChIKey of 5-[5-amino-1-(1-prop-2-enoylpiperidin-3-yl)imidazo[1,5-c]pyrimidin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide?

The InChIKey is CKKZWUGKUXJVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N8O2/c1-2-21(38)36-11-3-4-16(14-36)22-19-8-10-32-25(30)37(19)23(35-22)15-5-6-18(33-13-15)24(39)34-20-12-17(7-9-31-20)26(27,28)29/h2,5-10,12-13,16H,1,3-4,11,14H2,(H2,30,32)(H,31,34,39).

What are the key properties of 5-[5-amino-1-(1-prop-2-enoylpiperidin-3-yl)imidazo[1,5-c]pyrimidin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide?

5-[5-amino-1-(1-prop-2-enoylpiperidin-3-yl)imidazo[1,5-c]pyrimidin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide has a molecular weight of 536.52 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-amino-1-(1-prop-2-enoylpiperidin-3-yl)imidazo[1,5-c]pyrimidin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide is sourced from PubChem (CID 134265100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).