(6S)-6-[(2S)-2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-1-carbonyl]piperidin-2-one

C25H28F3N9O2 — CID 155922347

About (6S)-6-[(2S)-2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-1-carbonyl]piperidin-2-one

(6S)-6-[(2S)-2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-1-carbonyl]piperidin-2-one (PubChem CID 155922347) has the molecular formula C25H28F3N9O2 and a molecular weight of 543.55 g/mol. Its IUPAC name is (6S)-6-[(2S)-2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-1-carbonyl]piperidin-2-one.

Molecular Properties

• Compound Name: (6S)-6-[(2S)-2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-1-carbonyl]piperidin-2-one
• PubChem CID: 155922347
• Molecular Formula: C25H28F3N9O2
• Molecular Weight: 543.55 g/mol
• Exact Mass: 543.23
• IUPAC Name: (6S)-6-[(2S)-2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-1-carbonyl]piperidin-2-one
• SMILES: O=C1CCC[C@@H](C(=O)N2CCN(c3ccnc(-c4cnc5ccc(C(F)(F)F)cn45)n3)C[C@@H]2C2CNNC2)N1
• InChI: InChI=1S/C25H28F3N9O2/c26-25(27,28)16-4-5-20-30-12-18(37(20)13-16)23-29-7-6-21(34-23)35-8-9-36(19(14-35)15-10-31-32-11-15)24(39)17-2-1-3-22(38)33-17/h4-7,12-13,15,17,19,31-32H,1-3,8-11,14H2,(H,33,38)/t17-,19+/m0/s1
• InChIKey: FQGQRBFFHDDAJP-PKOBYXMFSA-N
• XLogP: 1.22
• TPSA: 119.79 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	543.55
LogP ≤ 5	1.22
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (6S)-6-[(2S)-2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-1-carbonyl]piperidin-2-one?

The IUPAC name of (6S)-6-[(2S)-2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-1-carbonyl]piperidin-2-one (CID 155922347) is (6S)-6-[(2S)-2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-1-carbonyl]piperidin-2-one.

What is the SMILES notation for (6S)-6-[(2S)-2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-1-carbonyl]piperidin-2-one?

The canonical SMILES for (6S)-6-[(2S)-2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-1-carbonyl]piperidin-2-one is O=C1CCC[C@@H](C(=O)N2CCN(c3ccnc(-c4cnc5ccc(C(F)(F)F)cn45)n3)C[C@@H]2C2CNNC2)N1.

What is the InChIKey of (6S)-6-[(2S)-2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-1-carbonyl]piperidin-2-one?

The InChIKey is FQGQRBFFHDDAJP-PKOBYXMFSA-N. The full InChI is InChI=1S/C25H28F3N9O2/c26-25(27,28)16-4-5-20-30-12-18(37(20)13-16)23-29-7-6-21(34-23)35-8-9-36(19(14-35)15-10-31-32-11-15)24(39)17-2-1-3-22(38)33-17/h4-7,12-13,15,17,19,31-32H,1-3,8-11,14H2,(H,33,38)/t17-,19+/m0/s1.

What are the key properties of (6S)-6-[(2S)-2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-1-carbonyl]piperidin-2-one?

(6S)-6-[(2S)-2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-1-carbonyl]piperidin-2-one has a molecular weight of 543.55 g/mol, XLogP of 1.22, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-6-[(2S)-2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-1-carbonyl]piperidin-2-one is sourced from PubChem (CID 155922347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).