N-(2-hydroxyethyl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide

C19H20F3N7O2 — CID 139343540

About N-(2-hydroxyethyl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide

N-(2-hydroxyethyl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide (PubChem CID 139343540) has the molecular formula C19H20F3N7O2 and a molecular weight of 435.41 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: N-(2-hydroxyethyl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide
• PubChem CID: 139343540
• Molecular Formula: C19H20F3N7O2
• Molecular Weight: 435.41 g/mol
• Exact Mass: 435.16
• IUPAC Name: N-(2-hydroxyethyl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide
• SMILES: O=C(NCCO)C1CCCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1
• InChI: InChI=1S/C19H20F3N7O2/c20-19(21,22)14-11-29-13(8-26-16(29)9-25-14)17-23-4-3-15(27-17)28-6-1-2-12(10-28)18(31)24-5-7-30/h3-4,8-9,11-12,30H,1-2,5-7,10H2,(H,24,31)
• InChIKey: JFNFEDVLAPNSKE-UHFFFAOYSA-N
• XLogP: 1.53
• TPSA: 108.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.41
LogP ≤ 5	1.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide?

The IUPAC name of N-(2-hydroxyethyl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide (CID 139343540) is N-(2-hydroxyethyl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide.

What is the SMILES notation for N-(2-hydroxyethyl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide?

The canonical SMILES for N-(2-hydroxyethyl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide is O=C(NCCO)C1CCCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1.

What is the InChIKey of N-(2-hydroxyethyl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide?

The InChIKey is JFNFEDVLAPNSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N7O2/c20-19(21,22)14-11-29-13(8-26-16(29)9-25-14)17-23-4-3-15(27-17)28-6-1-2-12(10-28)18(31)24-5-7-30/h3-4,8-9,11-12,30H,1-2,5-7,10H2,(H,24,31).

What are the key properties of N-(2-hydroxyethyl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide?

N-(2-hydroxyethyl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide has a molecular weight of 435.41 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-hydroxyethyl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 139343540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).