4-[2-chloro-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]benzoyl]-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]piperazine-1-carboxamide;formic acid

C27H28ClF3N10O5 — CID 175919922

About 4-[2-chloro-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]benzoyl]-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]piperazine-1-carboxamide;formic acid

4-[2-chloro-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]benzoyl]-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]piperazine-1-carboxamide;formic acid (PubChem CID 175919922) has the molecular formula C27H28ClF3N10O5 and a molecular weight of 665.03 g/mol. Its IUPAC name is 4-[2-chloro-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]benzoyl]-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]piperazine-1-carboxamide;formic acid.

Molecular Properties

• Compound Name: 4-[2-chloro-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]benzoyl]-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]piperazine-1-carboxamide;formic acid
• PubChem CID: 175919922
• Molecular Formula: C27H28ClF3N10O5
• Molecular Weight: 665.03 g/mol
• Exact Mass: 664.19
• IUPAC Name: 4-[2-chloro-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]benzoyl]-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]piperazine-1-carboxamide;formic acid
• SMILES: O=C(N[C@@H]1CNC[C@H]1O)N1CCN(C(=O)c2ccc(Nc3nccn4c(-c5cn[nH]c5C(F)(F)F)cnc34)cc2Cl)CC1.O=CO
• InChI: InChI=1S/C26H26ClF3N10O3.CH2O2/c27-17-9-14(35-22-23-33-12-19(40(23)4-3-32-22)16-10-34-37-21(16)26(28,29)30)1-2-15(17)24(42)38-5-7-39(8-6-38)25(43)36-18-11-31-13-20(18)41;2-1-3/h1-4,9-10,12,18,20,31,41H,5-8,11,13H2,(H,32,35)(H,34,37)(H,36,43);1H,(H,2,3)/t18-,20-;/m1./s1
• InChIKey: QXIQUYFGFHFIHG-OVAHNPOGSA-N
• XLogP: 2.04
• TPSA: 193.11 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	665.03
LogP ≤ 5	2.04
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[2-chloro-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]benzoyl]-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]piperazine-1-carboxamide;formic acid?

The IUPAC name of 4-[2-chloro-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]benzoyl]-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]piperazine-1-carboxamide;formic acid (CID 175919922) is 4-[2-chloro-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]benzoyl]-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]piperazine-1-carboxamide;formic acid.

What is the SMILES notation for 4-[2-chloro-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]benzoyl]-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]piperazine-1-carboxamide;formic acid?

The canonical SMILES for 4-[2-chloro-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]benzoyl]-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]piperazine-1-carboxamide;formic acid is O=C(N[C@@H]1CNC[C@H]1O)N1CCN(C(=O)c2ccc(Nc3nccn4c(-c5cn[nH]c5C(F)(F)F)cnc34)cc2Cl)CC1.O=CO.

What is the InChIKey of 4-[2-chloro-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]benzoyl]-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]piperazine-1-carboxamide;formic acid?

The InChIKey is QXIQUYFGFHFIHG-OVAHNPOGSA-N. The full InChI is InChI=1S/C26H26ClF3N10O3.CH2O2/c27-17-9-14(35-22-23-33-12-19(40(23)4-3-32-22)16-10-34-37-21(16)26(28,29)30)1-2-15(17)24(42)38-5-7-39(8-6-38)25(43)36-18-11-31-13-20(18)41;2-1-3/h1-4,9-10,12,18,20,31,41H,5-8,11,13H2,(H,32,35)(H,34,37)(H,36,43);1H,(H,2,3)/t18-,20-;/m1./s1.

What are the key properties of 4-[2-chloro-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]benzoyl]-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]piperazine-1-carboxamide;formic acid?

4-[2-chloro-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]benzoyl]-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]piperazine-1-carboxamide;formic acid has a molecular weight of 665.03 g/mol, XLogP of 2.04, 5 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-chloro-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]benzoyl]-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]piperazine-1-carboxamide;formic acid is sourced from PubChem (CID 175919922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).