2-[[3-imino-2-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]propylidene]amino]-N,N,2-trimethylpropanamide

C25H28F3N7O2 — CID 86766765

IUPAC2-[[3-imino-2-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]propylidene]amino]-N,N,2-trimethylpropanamide
SMILES[H]/N=C/C(/C=N/C(C)(C)C(=O)N(C)C)c1ccn2c(-c3cccc(NC(=O)NCC(F)(F)F)c3)cnc2c1
InChIInChI=1S/C25H28F3N7O2/c1-24(2,22(36)34(3)4)32-13-18(12-29)16-8-9-35-20(14-30-21(35)11-16)17-6-5-7-19(10-17)33-23(37)31-15-25(26,27)28/h5-14,18,29H,15H2,1-4H3,(H2,31,33,37)/b29-12+,32-13+
InChIKeyUCEBVYASTURHJB-AUOUKGLXSA-N
MW515.54 g/mol
LogP4.36
Rot. Bonds8

About 2-[[3-imino-2-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]propylidene]amino]-N,N,2-trimethylpropanamide

2-[[3-imino-2-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]propylidene]amino]-N,N,2-trimethylpropanamide (PubChem CID 86766765) has the molecular formula C25H28F3N7O2 and a molecular weight of 515.54 g/mol. Its IUPAC name is 2-[[3-imino-2-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]propylidene]amino]-N,N,2-trimethylpropanamide.

Molecular Properties

Compound Name2-[[3-imino-2-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]propylidene]amino]-N,N,2-trimethylpropanamide
PubChem CID86766765
Molecular FormulaC25H28F3N7O2
Molecular Weight515.54 g/mol
Exact Mass515.23
IUPAC Name2-[[3-imino-2-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]propylidene]amino]-N,N,2-trimethylpropanamide
SMILES[H]/N=C/C(/C=N/C(C)(C)C(=O)N(C)C)c1ccn2c(-c3cccc(NC(=O)NCC(F)(F)F)c3)cnc2c1
InChIInChI=1S/C25H28F3N7O2/c1-24(2,22(36)34(3)4)32-13-18(12-29)16-8-9-35-20(14-30-21(35)11-16)17-6-5-7-19(10-17)33-23(37)31-15-25(26,27)28/h5-14,18,29H,15H2,1-4H3,(H2,31,33,37)/b29-12+,32-13+
InChIKeyUCEBVYASTURHJB-AUOUKGLXSA-N
XLogP4.36
TPSA114.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.54
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-[[3-imino-2-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]propylidene]amino]-N,N,2-trimethylpropanamide with MolForge

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Related Compounds

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Imidazopyridine 12b
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Imidazopyridine 12c
CID 5329349
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CID 5329351
Imidazopyridine 18d
CID 5329354
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CID 59251679
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Frequently Asked Questions

What is the IUPAC name of 2-[[3-imino-2-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]propylidene]amino]-N,N,2-trimethylpropanamide?
The IUPAC name of 2-[[3-imino-2-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]propylidene]amino]-N,N,2-trimethylpropanamide (CID 86766765) is 2-[[3-imino-2-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]propylidene]amino]-N,N,2-trimethylpropanamide.
What is the SMILES notation for 2-[[3-imino-2-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]propylidene]amino]-N,N,2-trimethylpropanamide?
The canonical SMILES for 2-[[3-imino-2-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]propylidene]amino]-N,N,2-trimethylpropanamide is [H]/N=C/C(/C=N/C(C)(C)C(=O)N(C)C)c1ccn2c(-c3cccc(NC(=O)NCC(F)(F)F)c3)cnc2c1.
What is the InChIKey of 2-[[3-imino-2-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]propylidene]amino]-N,N,2-trimethylpropanamide?
The InChIKey is UCEBVYASTURHJB-AUOUKGLXSA-N. The full InChI is InChI=1S/C25H28F3N7O2/c1-24(2,22(36)34(3)4)32-13-18(12-29)16-8-9-35-20(14-30-21(35)11-16)17-6-5-7-19(10-17)33-23(37)31-15-25(26,27)28/h5-14,18,29H,15H2,1-4H3,(H2,31,33,37)/b29-12+,32-13+.
What are the key properties of 2-[[3-imino-2-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]propylidene]amino]-N,N,2-trimethylpropanamide?
2-[[3-imino-2-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]propylidene]amino]-N,N,2-trimethylpropanamide has a molecular weight of 515.54 g/mol, XLogP of 4.36, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-imino-2-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]propylidene]amino]-N,N,2-trimethylpropanamide is sourced from PubChem (CID 86766765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).