(2,2-difluorocyclopropyl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone

C23H19F5N8O — CID 139344429

About (2,2-difluorocyclopropyl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone

(2,2-difluorocyclopropyl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone (PubChem CID 139344429) has the molecular formula C23H19F5N8O and a molecular weight of 518.45 g/mol. Its IUPAC name is (2,2-difluorocyclopropyl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: (2,2-difluorocyclopropyl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone
• PubChem CID: 139344429
• Molecular Formula: C23H19F5N8O
• Molecular Weight: 518.45 g/mol
• Exact Mass: 518.16
• IUPAC Name: (2,2-difluorocyclopropyl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone
• SMILES: O=C(C1CC1(F)F)N1CCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CC1c1cn[nH]c1
• InChI: InChI=1S/C23H19F5N8O/c24-22(25)7-15(22)21(37)35-6-5-34(12-17(35)13-8-31-32-9-13)19-3-4-29-20(33-19)16-10-30-18-2-1-14(11-36(16)18)23(26,27)28/h1-4,8-11,15,17H,5-7,12H2,(H,31,32)
• InChIKey: JOEYTAAJUSLDJF-UHFFFAOYSA-N
• XLogP: 3.58
• TPSA: 95.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.45
LogP ≤ 5	3.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2,2-difluorocyclopropyl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone?

The IUPAC name of (2,2-difluorocyclopropyl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone (CID 139344429) is (2,2-difluorocyclopropyl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone.

What is the SMILES notation for (2,2-difluorocyclopropyl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone?

The canonical SMILES for (2,2-difluorocyclopropyl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone is O=C(C1CC1(F)F)N1CCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CC1c1cn[nH]c1.

What is the InChIKey of (2,2-difluorocyclopropyl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone?

The InChIKey is JOEYTAAJUSLDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F5N8O/c24-22(25)7-15(22)21(37)35-6-5-34(12-17(35)13-8-31-32-9-13)19-3-4-29-20(33-19)16-10-30-18-2-1-14(11-36(16)18)23(26,27)28/h1-4,8-11,15,17H,5-7,12H2,(H,31,32).

What are the key properties of (2,2-difluorocyclopropyl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone?

(2,2-difluorocyclopropyl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone has a molecular weight of 518.45 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2,2-difluorocyclopropyl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 139344429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).