benzyl 3-[(8-fluoroimidazo[1,2-a]pyridin-2-yl)methylamino]-3-methylpyrrolidine-1-carboxylate

C21H23FN4O2 — CID 166221294

IUPACbenzyl 3-[(8-fluoroimidazo[1,2-a]pyridin-2-yl)methylamino]-3-methylpyrrolidine-1-carboxylate
SMILESCC1(NCc2cn3cccc(F)c3n2)CCN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C21H23FN4O2/c1-21(23-12-17-13-25-10-5-8-18(22)19(25)24-17)9-11-26(15-21)20(27)28-14-16-6-3-2-4-7-16/h2-8,10,13,23H,9,11-12,14-15H2,1H3
InChIKeyDIKVHBOJIYJODJ-UHFFFAOYSA-N
MW382.44 g/mol
LogP3.36
Rot. Bonds5

About benzyl 3-[(8-fluoroimidazo[1,2-a]pyridin-2-yl)methylamino]-3-methylpyrrolidine-1-carboxylate

benzyl 3-[(8-fluoroimidazo[1,2-a]pyridin-2-yl)methylamino]-3-methylpyrrolidine-1-carboxylate (PubChem CID 166221294) has the molecular formula C21H23FN4O2 and a molecular weight of 382.44 g/mol. Its IUPAC name is benzyl 3-[(8-fluoroimidazo[1,2-a]pyridin-2-yl)methylamino]-3-methylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 3-[(8-fluoroimidazo[1,2-a]pyridin-2-yl)methylamino]-3-methylpyrrolidine-1-carboxylate
PubChem CID166221294
Molecular FormulaC21H23FN4O2
Molecular Weight382.44 g/mol
Exact Mass382.18
IUPAC Namebenzyl 3-[(8-fluoroimidazo[1,2-a]pyridin-2-yl)methylamino]-3-methylpyrrolidine-1-carboxylate
SMILESCC1(NCc2cn3cccc(F)c3n2)CCN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C21H23FN4O2/c1-21(23-12-17-13-25-10-5-8-18(22)19(25)24-17)9-11-26(15-21)20(27)28-14-16-6-3-2-4-7-16/h2-8,10,13,23H,9,11-12,14-15H2,1H3
InChIKeyDIKVHBOJIYJODJ-UHFFFAOYSA-N
XLogP3.36
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl (3R)-3-[(4-methoxyphenyl)methylamino]-3-methylpiperidine-1-carboxylate
CID 172750973
(3R)-3-methyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
CID 71814981
1-O-benzyl 3-O-methyl (3S)-3-methylpyrrolidine-1,3-dicarboxylate
CID 97294876
benzyl (3S)-3-methyl-3-(propan-2-ylamino)piperidine-1-carboxylate
CID 97175006
benzyl (3R)-3-fluoro-3-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 121242240
benzyl 4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 19691286
benzyl (3R)-3-amino-3-methylpiperidine-1-carboxylate;hydrochloride
CID 119081423
benzyl (3R)-1-oxa-6-azaspiro[2.4]heptane-6-carboxylate
CID 97169066
3-tert-butyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
CID 135241816
benzyl 3,3-dimethyl-4-oxopiperidine-1-carboxylate
CID 22278861
benzyl (3S)-3-amino-3-(fluoromethyl)pyrrolidine-1-carboxylate
CID 124634406
benzyl 3-ethyl-3-hydroxypyrrolidine-1-carboxylate
CID 134177582

Frequently Asked Questions

What is the IUPAC name of benzyl 3-[(8-fluoroimidazo[1,2-a]pyridin-2-yl)methylamino]-3-methylpyrrolidine-1-carboxylate?
The IUPAC name of benzyl 3-[(8-fluoroimidazo[1,2-a]pyridin-2-yl)methylamino]-3-methylpyrrolidine-1-carboxylate (CID 166221294) is benzyl 3-[(8-fluoroimidazo[1,2-a]pyridin-2-yl)methylamino]-3-methylpyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl 3-[(8-fluoroimidazo[1,2-a]pyridin-2-yl)methylamino]-3-methylpyrrolidine-1-carboxylate?
The canonical SMILES for benzyl 3-[(8-fluoroimidazo[1,2-a]pyridin-2-yl)methylamino]-3-methylpyrrolidine-1-carboxylate is CC1(NCc2cn3cccc(F)c3n2)CCN(C(=O)OCc2ccccc2)C1.
What is the InChIKey of benzyl 3-[(8-fluoroimidazo[1,2-a]pyridin-2-yl)methylamino]-3-methylpyrrolidine-1-carboxylate?
The InChIKey is DIKVHBOJIYJODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O2/c1-21(23-12-17-13-25-10-5-8-18(22)19(25)24-17)9-11-26(15-21)20(27)28-14-16-6-3-2-4-7-16/h2-8,10,13,23H,9,11-12,14-15H2,1H3.
What are the key properties of benzyl 3-[(8-fluoroimidazo[1,2-a]pyridin-2-yl)methylamino]-3-methylpyrrolidine-1-carboxylate?
benzyl 3-[(8-fluoroimidazo[1,2-a]pyridin-2-yl)methylamino]-3-methylpyrrolidine-1-carboxylate has a molecular weight of 382.44 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-[(8-fluoroimidazo[1,2-a]pyridin-2-yl)methylamino]-3-methylpyrrolidine-1-carboxylate is sourced from PubChem (CID 166221294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).