N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-6-piperazin-1-ylpyridine-3-carboxamide

C23H21F3N8O — CID 59252069

About N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-6-piperazin-1-ylpyridine-3-carboxamide

N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-6-piperazin-1-ylpyridine-3-carboxamide (PubChem CID 59252069) has the molecular formula C23H21F3N8O and a molecular weight of 482.47 g/mol. Its IUPAC name is N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-6-piperazin-1-ylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-6-piperazin-1-ylpyridine-3-carboxamide
• PubChem CID: 59252069
• Molecular Formula: C23H21F3N8O
• Molecular Weight: 482.47 g/mol
• Exact Mass: 482.18
• IUPAC Name: N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-6-piperazin-1-ylpyridine-3-carboxamide
• SMILES: Nc1ncc(-c2ccc3nc(NC(=O)c4ccc(N5CCNCC5)nc4)cn3c2)cc1C(F)(F)F
• InChI: InChI=1S/C23H21F3N8O/c24-23(25,26)17-9-16(11-30-21(17)27)15-2-4-20-31-18(13-34(20)12-15)32-22(35)14-1-3-19(29-10-14)33-7-5-28-6-8-33/h1-4,9-13,28H,5-8H2,(H2,27,30)(H,32,35)
• InChIKey: RBLUQWOFLSBICU-UHFFFAOYSA-N
• XLogP: 3.05
• TPSA: 113.47 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.47
LogP ≤ 5	3.05
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-6-piperazin-1-ylpyridine-3-carboxamide?

The IUPAC name of N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-6-piperazin-1-ylpyridine-3-carboxamide (CID 59252069) is N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-6-piperazin-1-ylpyridine-3-carboxamide.

What is the SMILES notation for N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-6-piperazin-1-ylpyridine-3-carboxamide?

The canonical SMILES for N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-6-piperazin-1-ylpyridine-3-carboxamide is Nc1ncc(-c2ccc3nc(NC(=O)c4ccc(N5CCNCC5)nc4)cn3c2)cc1C(F)(F)F.

What is the InChIKey of N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-6-piperazin-1-ylpyridine-3-carboxamide?

The InChIKey is RBLUQWOFLSBICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N8O/c24-23(25,26)17-9-16(11-30-21(17)27)15-2-4-20-31-18(13-34(20)12-15)32-22(35)14-1-3-19(29-10-14)33-7-5-28-6-8-33/h1-4,9-13,28H,5-8H2,(H2,27,30)(H,32,35).

What are the key properties of N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-6-piperazin-1-ylpyridine-3-carboxamide?

N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-6-piperazin-1-ylpyridine-3-carboxamide has a molecular weight of 482.47 g/mol, XLogP of 3.05, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-6-piperazin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 59252069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).