[2-[2-amino-4-(4-imidazo[1,2-a]pyridin-7-ylphenyl)-5-oxo-4H-imidazol-1-yl]-2-[4-chloro-3-[2-(difluoromethyl)-1,2,4-triazol-3-yl]phenyl]ethyl] formate;2,2-dimethylpropane;N-methyl-1-(trifluoromethyl)cyclopropan-1-amine

C38H41ClF5N9O3 — CID 142559442

About [2-[2-amino-4-(4-imidazo[1,2-a]pyridin-7-ylphenyl)-5-oxo-4H-imidazol-1-yl]-2-[4-chloro-3-[2-(difluoromethyl)-1,2,4-triazol-3-yl]phenyl]ethyl] formate;2,2-dimethylpropane;N-methyl-1-(trifluoromethyl)cyclopropan-1-amine

[2-[2-amino-4-(4-imidazo[1,2-a]pyridin-7-ylphenyl)-5-oxo-4H-imidazol-1-yl]-2-[4-chloro-3-[2-(difluoromethyl)-1,2,4-triazol-3-yl]phenyl]ethyl] formate;2,2-dimethylpropane;N-methyl-1-(trifluoromethyl)cyclopropan-1-amine (PubChem CID 142559442) has the molecular formula C38H41ClF5N9O3 and a molecular weight of 802.25 g/mol. Its IUPAC name is [2-[2-amino-4-(4-imidazo[1,2-a]pyridin-7-ylphenyl)-5-oxo-4H-imidazol-1-yl]-2-[4-chloro-3-[2-(difluoromethyl)-1,2,4-triazol-3-yl]phenyl]ethyl] formate;2,2-dimethylpropane;N-methyl-1-(trifluoromethyl)cyclopropan-1-amine.

Molecular Properties

• Compound Name: [2-[2-amino-4-(4-imidazo[1,2-a]pyridin-7-ylphenyl)-5-oxo-4H-imidazol-1-yl]-2-[4-chloro-3-[2-(difluoromethyl)-1,2,4-triazol-3-yl]phenyl]ethyl] formate;2,2-dimethylpropane;N-methyl-1-(trifluoromethyl)cyclopropan-1-amine
• PubChem CID: 142559442
• Molecular Formula: C38H41ClF5N9O3
• Molecular Weight: 802.25 g/mol
• Exact Mass: 801.29
• IUPAC Name: [2-[2-amino-4-(4-imidazo[1,2-a]pyridin-7-ylphenyl)-5-oxo-4H-imidazol-1-yl]-2-[4-chloro-3-[2-(difluoromethyl)-1,2,4-triazol-3-yl]phenyl]ethyl] formate;2,2-dimethylpropane;N-methyl-1-(trifluoromethyl)cyclopropan-1-amine
• SMILES: CC(C)(C)C.CNC1(C(F)(F)F)CC1.NC1=NC(c2ccc(-c3ccn4ccnc4c3)cc2)C(=O)N1C(COC=O)c1ccc(Cl)c(-c2ncnn2C(F)F)c1
• InChI: InChI=1S/C28H21ClF2N8O3.C5H8F3N.C5H12/c29-21-6-5-19(11-20(21)25-34-14-35-39(25)27(30)31)22(13-42-15-40)38-26(41)24(36-28(38)32)17-3-1-16(2-4-17)18-7-9-37-10-8-33-23(37)12-18;1-9-4(2-3-4)5(6,7)8;1-5(2,3)4/h1-12,14-15,22,24,27H,13H2,(H2,32,36);9H,2-3H2,1H3;1-4H3
• InChIKey: PENGXXIERLNHPK-UHFFFAOYSA-N
• XLogP: 7.77
• TPSA: 145.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	802.25
LogP ≤ 5	7.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-[2-amino-4-(4-imidazo[1,2-a]pyridin-7-ylphenyl)-5-oxo-4H-imidazol-1-yl]-2-[4-chloro-3-[2-(difluoromethyl)-1,2,4-triazol-3-yl]phenyl]ethyl] formate;2,2-dimethylpropane;N-methyl-1-(trifluoromethyl)cyclopropan-1-amine?

The IUPAC name of [2-[2-amino-4-(4-imidazo[1,2-a]pyridin-7-ylphenyl)-5-oxo-4H-imidazol-1-yl]-2-[4-chloro-3-[2-(difluoromethyl)-1,2,4-triazol-3-yl]phenyl]ethyl] formate;2,2-dimethylpropane;N-methyl-1-(trifluoromethyl)cyclopropan-1-amine (CID 142559442) is [2-[2-amino-4-(4-imidazo[1,2-a]pyridin-7-ylphenyl)-5-oxo-4H-imidazol-1-yl]-2-[4-chloro-3-[2-(difluoromethyl)-1,2,4-triazol-3-yl]phenyl]ethyl] formate;2,2-dimethylpropane;N-methyl-1-(trifluoromethyl)cyclopropan-1-amine.

What is the SMILES notation for [2-[2-amino-4-(4-imidazo[1,2-a]pyridin-7-ylphenyl)-5-oxo-4H-imidazol-1-yl]-2-[4-chloro-3-[2-(difluoromethyl)-1,2,4-triazol-3-yl]phenyl]ethyl] formate;2,2-dimethylpropane;N-methyl-1-(trifluoromethyl)cyclopropan-1-amine?

The canonical SMILES for [2-[2-amino-4-(4-imidazo[1,2-a]pyridin-7-ylphenyl)-5-oxo-4H-imidazol-1-yl]-2-[4-chloro-3-[2-(difluoromethyl)-1,2,4-triazol-3-yl]phenyl]ethyl] formate;2,2-dimethylpropane;N-methyl-1-(trifluoromethyl)cyclopropan-1-amine is CC(C)(C)C.CNC1(C(F)(F)F)CC1.NC1=NC(c2ccc(-c3ccn4ccnc4c3)cc2)C(=O)N1C(COC=O)c1ccc(Cl)c(-c2ncnn2C(F)F)c1.

What is the InChIKey of [2-[2-amino-4-(4-imidazo[1,2-a]pyridin-7-ylphenyl)-5-oxo-4H-imidazol-1-yl]-2-[4-chloro-3-[2-(difluoromethyl)-1,2,4-triazol-3-yl]phenyl]ethyl] formate;2,2-dimethylpropane;N-methyl-1-(trifluoromethyl)cyclopropan-1-amine?

The InChIKey is PENGXXIERLNHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21ClF2N8O3.C5H8F3N.C5H12/c29-21-6-5-19(11-20(21)25-34-14-35-39(25)27(30)31)22(13-42-15-40)38-26(41)24(36-28(38)32)17-3-1-16(2-4-17)18-7-9-37-10-8-33-23(37)12-18;1-9-4(2-3-4)5(6,7)8;1-5(2,3)4/h1-12,14-15,22,24,27H,13H2,(H2,32,36);9H,2-3H2,1H3;1-4H3.

What are the key properties of [2-[2-amino-4-(4-imidazo[1,2-a]pyridin-7-ylphenyl)-5-oxo-4H-imidazol-1-yl]-2-[4-chloro-3-[2-(difluoromethyl)-1,2,4-triazol-3-yl]phenyl]ethyl] formate;2,2-dimethylpropane;N-methyl-1-(trifluoromethyl)cyclopropan-1-amine?

[2-[2-amino-4-(4-imidazo[1,2-a]pyridin-7-ylphenyl)-5-oxo-4H-imidazol-1-yl]-2-[4-chloro-3-[2-(difluoromethyl)-1,2,4-triazol-3-yl]phenyl]ethyl] formate;2,2-dimethylpropane;N-methyl-1-(trifluoromethyl)cyclopropan-1-amine has a molecular weight of 802.25 g/mol, XLogP of 7.77, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[2-amino-4-(4-imidazo[1,2-a]pyridin-7-ylphenyl)-5-oxo-4H-imidazol-1-yl]-2-[4-chloro-3-[2-(difluoromethyl)-1,2,4-triazol-3-yl]phenyl]ethyl] formate;2,2-dimethylpropane;N-methyl-1-(trifluoromethyl)cyclopropan-1-amine is sourced from PubChem (CID 142559442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).