[4-[(3S)-3-aminopyrrolidine-1-carbonyl]piperazin-1-yl]-[2-chloro-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]methanone

C26H26ClF3N10O2 — CID 157024836

About [4-[(3S)-3-aminopyrrolidine-1-carbonyl]piperazin-1-yl]-[2-chloro-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]methanone

[4-[(3S)-3-aminopyrrolidine-1-carbonyl]piperazin-1-yl]-[2-chloro-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]methanone (PubChem CID 157024836) has the molecular formula C26H26ClF3N10O2 and a molecular weight of 603.01 g/mol. Its IUPAC name is [4-[(3S)-3-aminopyrrolidine-1-carbonyl]piperazin-1-yl]-[2-chloro-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]methanone.

Molecular Properties

• Compound Name: [4-[(3S)-3-aminopyrrolidine-1-carbonyl]piperazin-1-yl]-[2-chloro-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]methanone
• PubChem CID: 157024836
• Molecular Formula: C26H26ClF3N10O2
• Molecular Weight: 603.01 g/mol
• Exact Mass: 602.19
• IUPAC Name: [4-[(3S)-3-aminopyrrolidine-1-carbonyl]piperazin-1-yl]-[2-chloro-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]methanone
• SMILES: N[C@H]1CCN(C(=O)N2CCN(C(=O)c3ccc(Nc4nccn5c(-c6cn[nH]c6C(F)(F)F)cnc45)cc3Cl)CC2)C1
• InChI: InChI=1S/C26H26ClF3N10O2/c27-19-11-16(1-2-17(19)24(41)37-7-9-38(10-8-37)25(42)39-5-3-15(31)14-39)35-22-23-33-13-20(40(23)6-4-32-22)18-12-34-36-21(18)26(28,29)30/h1-2,4,6,11-13,15H,3,5,7-10,14,31H2,(H,32,35)(H,34,36)/t15-/m0/s1
• InChIKey: ZYVOXBIEGSEYGY-HNNXBMFYSA-N
• XLogP: 3.45
• TPSA: 140.78 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	603.01
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [4-[(3S)-3-aminopyrrolidine-1-carbonyl]piperazin-1-yl]-[2-chloro-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]methanone?

The IUPAC name of [4-[(3S)-3-aminopyrrolidine-1-carbonyl]piperazin-1-yl]-[2-chloro-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]methanone (CID 157024836) is [4-[(3S)-3-aminopyrrolidine-1-carbonyl]piperazin-1-yl]-[2-chloro-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]methanone.

What is the SMILES notation for [4-[(3S)-3-aminopyrrolidine-1-carbonyl]piperazin-1-yl]-[2-chloro-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]methanone?

The canonical SMILES for [4-[(3S)-3-aminopyrrolidine-1-carbonyl]piperazin-1-yl]-[2-chloro-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]methanone is N[C@H]1CCN(C(=O)N2CCN(C(=O)c3ccc(Nc4nccn5c(-c6cn[nH]c6C(F)(F)F)cnc45)cc3Cl)CC2)C1.

What is the InChIKey of [4-[(3S)-3-aminopyrrolidine-1-carbonyl]piperazin-1-yl]-[2-chloro-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]methanone?

The InChIKey is ZYVOXBIEGSEYGY-HNNXBMFYSA-N. The full InChI is InChI=1S/C26H26ClF3N10O2/c27-19-11-16(1-2-17(19)24(41)37-7-9-38(10-8-37)25(42)39-5-3-15(31)14-39)35-22-23-33-13-20(40(23)6-4-32-22)18-12-34-36-21(18)26(28,29)30/h1-2,4,6,11-13,15H,3,5,7-10,14,31H2,(H,32,35)(H,34,36)/t15-/m0/s1.

What are the key properties of [4-[(3S)-3-aminopyrrolidine-1-carbonyl]piperazin-1-yl]-[2-chloro-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]methanone?

[4-[(3S)-3-aminopyrrolidine-1-carbonyl]piperazin-1-yl]-[2-chloro-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]methanone has a molecular weight of 603.01 g/mol, XLogP of 3.45, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[(3S)-3-aminopyrrolidine-1-carbonyl]piperazin-1-yl]-[2-chloro-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]methanone is sourced from PubChem (CID 157024836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).