ethyl 2-[butyl-(3,4-difluorobenzoyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate

C21H25F2N3O3 — CID 57465132

IUPACethyl 2-[butyl-(3,4-difluorobenzoyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate
SMILESCCCCN(C(=O)c1ccc(F)c(F)c1)c1nc2n(c1C(=O)OCC)CCCC2
InChIInChI=1S/C21H25F2N3O3/c1-3-5-11-26(20(27)14-9-10-15(22)16(23)13-14)19-18(21(28)29-4-2)25-12-7-6-8-17(25)24-19/h9-10,13H,3-8,11-12H2,1-2H3
InChIKeyOCQRUUGKFKXRMA-UHFFFAOYSA-N
MW405.45 g/mol
LogP4.12
Rot. Bonds7

About ethyl 2-[butyl-(3,4-difluorobenzoyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate

ethyl 2-[butyl-(3,4-difluorobenzoyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate (PubChem CID 57465132) has the molecular formula C21H25F2N3O3 and a molecular weight of 405.45 g/mol. Its IUPAC name is ethyl 2-[butyl-(3,4-difluorobenzoyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[butyl-(3,4-difluorobenzoyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate
PubChem CID57465132
Molecular FormulaC21H25F2N3O3
Molecular Weight405.45 g/mol
Exact Mass405.19
IUPAC Nameethyl 2-[butyl-(3,4-difluorobenzoyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate
SMILESCCCCN(C(=O)c1ccc(F)c(F)c1)c1nc2n(c1C(=O)OCC)CCCC2
InChIInChI=1S/C21H25F2N3O3/c1-3-5-11-26(20(27)14-9-10-15(22)16(23)13-14)19-18(21(28)29-4-2)25-12-7-6-8-17(25)24-19/h9-10,13H,3-8,11-12H2,1-2H3
InChIKeyOCQRUUGKFKXRMA-UHFFFAOYSA-N
XLogP4.12
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[butyl-(3,4-difluorobenzoyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate with MolForge

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Related Compounds

N-butyl-N-[3-(ethoxymethyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-2-yl]-3,4-difluorobenzamide
CID 143304802
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
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
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
ethyl 2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate
CID 125453739
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
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3,4-difluorobenzamide
CID 30434613
ethyl 2-chloro-5,6,7,8-tetrahydroindolizine-3-carboxylate
CID 146496064
ethyl 1-[2-[benzoyl(methyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonyl]piperidine-4-carboxylate
CID 11956461

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[butyl-(3,4-difluorobenzoyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-[butyl-(3,4-difluorobenzoyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate (CID 57465132) is ethyl 2-[butyl-(3,4-difluorobenzoyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-[butyl-(3,4-difluorobenzoyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-[butyl-(3,4-difluorobenzoyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate is CCCCN(C(=O)c1ccc(F)c(F)c1)c1nc2n(c1C(=O)OCC)CCCC2.
What is the InChIKey of ethyl 2-[butyl-(3,4-difluorobenzoyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate?
The InChIKey is OCQRUUGKFKXRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F2N3O3/c1-3-5-11-26(20(27)14-9-10-15(22)16(23)13-14)19-18(21(28)29-4-2)25-12-7-6-8-17(25)24-19/h9-10,13H,3-8,11-12H2,1-2H3.
What are the key properties of ethyl 2-[butyl-(3,4-difluorobenzoyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate?
ethyl 2-[butyl-(3,4-difluorobenzoyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate has a molecular weight of 405.45 g/mol, XLogP of 4.12, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[butyl-(3,4-difluorobenzoyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate is sourced from PubChem (CID 57465132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).