N-[3-[4-(1-amino-3-methyl-1-oxobutan-2-yl)piperazine-1-carbonyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-N-butyl-3,4-difluorobenzamide

C28H38F2N6O3 — CID 68769441

IUPACN-[3-[4-(1-amino-3-methyl-1-oxobutan-2-yl)piperazine-1-carbonyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-N-butyl-3,4-difluorobenzamide
SMILESCCCCN(C(=O)c1ccc(F)c(F)c1)c1nc2n(c1C(=O)N1CCN(C(C(N)=O)C(C)C)CC1)CCCC2
InChIInChI=1S/C28H38F2N6O3/c1-4-5-11-36(27(38)19-9-10-20(29)21(30)17-19)26-24(35-12-7-6-8-22(35)32-26)28(39)34-15-13-33(14-16-34)23(18(2)3)25(31)37/h9-10,17-18,23H,4-8,11-16H2,1-3H3,(H2,31,37)
InChIKeyFREHFTZOMOMPLZ-UHFFFAOYSA-N
MW544.65 g/mol
LogP3.21
Rot. Bonds9

About N-[3-[4-(1-amino-3-methyl-1-oxobutan-2-yl)piperazine-1-carbonyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-N-butyl-3,4-difluorobenzamide

N-[3-[4-(1-amino-3-methyl-1-oxobutan-2-yl)piperazine-1-carbonyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-N-butyl-3,4-difluorobenzamide (PubChem CID 68769441) has the molecular formula C28H38F2N6O3 and a molecular weight of 544.65 g/mol. Its IUPAC name is N-[3-[4-(1-amino-3-methyl-1-oxobutan-2-yl)piperazine-1-carbonyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-N-butyl-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-[3-[4-(1-amino-3-methyl-1-oxobutan-2-yl)piperazine-1-carbonyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-N-butyl-3,4-difluorobenzamide
PubChem CID68769441
Molecular FormulaC28H38F2N6O3
Molecular Weight544.65 g/mol
Exact Mass544.30
IUPAC NameN-[3-[4-(1-amino-3-methyl-1-oxobutan-2-yl)piperazine-1-carbonyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-N-butyl-3,4-difluorobenzamide
SMILESCCCCN(C(=O)c1ccc(F)c(F)c1)c1nc2n(c1C(=O)N1CCN(C(C(N)=O)C(C)C)CC1)CCCC2
InChIInChI=1S/C28H38F2N6O3/c1-4-5-11-36(27(38)19-9-10-20(29)21(30)17-19)26-24(35-12-7-6-8-22(35)32-26)28(39)34-15-13-33(14-16-34)23(18(2)3)25(31)37/h9-10,17-18,23H,4-8,11-16H2,1-3H3,(H2,31,37)
InChIKeyFREHFTZOMOMPLZ-UHFFFAOYSA-N
XLogP3.21
TPSA104.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.65
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[3-[4-(1-amino-3-methyl-1-oxobutan-2-yl)piperazine-1-carbonyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-N-butyl-3,4-difluorobenzamide with MolForge

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Related Compounds

ethyl 2-[butyl-(3,4-difluorobenzoyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate
CID 57465132
N-butyl-N-[3-(ethoxymethyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-2-yl]-3,4-difluorobenzamide
CID 143304802
N-butyl-3-chloro-N-[3-(4-piperidin-1-ylpiperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]benzamide
CID 11956787
N-butyl-3-chloro-N-[3-(4-pyridin-2-ylpiperazine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]benzamide
CID 11956515
N-butyl-3-chloro-N-[3-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]benzamide
CID 57465120
2-[butyl-(3-chlorobenzoyl)amino]-N-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
CID 68766886
2-[butyl-(3-chlorobenzoyl)amino]-N-(2-phenoxyethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
CID 11956850
2-[butyl-(3-chlorobenzoyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
CID 140532381
benzyl (2S)-2-amino-3-methylbutanoate;benzyl (2S)-2-[[2-[butyl-(3-chlorobenzoyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonyl]amino]-3-methylbutanoate;2-[butyl-(3-chlorobenzoyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid;molecular hydrogen
CID 158502376
2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]propanamide
CID 110750479
ethyl 1-[2-[benzoyl(methyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonyl]piperidine-4-carboxylate
CID 11956461
2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-2-phenylacetamide
CID 51307935

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(1-amino-3-methyl-1-oxobutan-2-yl)piperazine-1-carbonyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-N-butyl-3,4-difluorobenzamide?
The IUPAC name of N-[3-[4-(1-amino-3-methyl-1-oxobutan-2-yl)piperazine-1-carbonyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-N-butyl-3,4-difluorobenzamide (CID 68769441) is N-[3-[4-(1-amino-3-methyl-1-oxobutan-2-yl)piperazine-1-carbonyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-N-butyl-3,4-difluorobenzamide.
What is the SMILES notation for N-[3-[4-(1-amino-3-methyl-1-oxobutan-2-yl)piperazine-1-carbonyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-N-butyl-3,4-difluorobenzamide?
The canonical SMILES for N-[3-[4-(1-amino-3-methyl-1-oxobutan-2-yl)piperazine-1-carbonyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-N-butyl-3,4-difluorobenzamide is CCCCN(C(=O)c1ccc(F)c(F)c1)c1nc2n(c1C(=O)N1CCN(C(C(N)=O)C(C)C)CC1)CCCC2.
What is the InChIKey of N-[3-[4-(1-amino-3-methyl-1-oxobutan-2-yl)piperazine-1-carbonyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-N-butyl-3,4-difluorobenzamide?
The InChIKey is FREHFTZOMOMPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38F2N6O3/c1-4-5-11-36(27(38)19-9-10-20(29)21(30)17-19)26-24(35-12-7-6-8-22(35)32-26)28(39)34-15-13-33(14-16-34)23(18(2)3)25(31)37/h9-10,17-18,23H,4-8,11-16H2,1-3H3,(H2,31,37).
What are the key properties of N-[3-[4-(1-amino-3-methyl-1-oxobutan-2-yl)piperazine-1-carbonyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-N-butyl-3,4-difluorobenzamide?
N-[3-[4-(1-amino-3-methyl-1-oxobutan-2-yl)piperazine-1-carbonyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-N-butyl-3,4-difluorobenzamide has a molecular weight of 544.65 g/mol, XLogP of 3.21, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(1-amino-3-methyl-1-oxobutan-2-yl)piperazine-1-carbonyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-N-butyl-3,4-difluorobenzamide is sourced from PubChem (CID 68769441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).