tert-butyl 1-[1-(5-fluoro-3-pyridinyl)propyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate

C19H25FN4O2 — CID 168818703

IUPACtert-butyl 1-[1-(5-fluoro-3-pyridinyl)propyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate
SMILESCCC(c1cncc(F)c1)n1cnc2c1CCN(C(=O)OC(C)(C)C)C2
InChIInChI=1S/C19H25FN4O2/c1-5-16(13-8-14(20)10-21-9-13)24-12-22-15-11-23(7-6-17(15)24)18(25)26-19(2,3)4/h8-10,12,16H,5-7,11H2,1-4H3
InChIKeyNQGYYXPKABAKMU-UHFFFAOYSA-N
MW360.43 g/mol
LogP3.71
Rot. Bonds3

About tert-butyl 1-[1-(5-fluoro-3-pyridinyl)propyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate

tert-butyl 1-[1-(5-fluoro-3-pyridinyl)propyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate (PubChem CID 168818703) has the molecular formula C19H25FN4O2 and a molecular weight of 360.43 g/mol. Its IUPAC name is tert-butyl 1-[1-(5-fluoro-3-pyridinyl)propyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-[1-(5-fluoro-3-pyridinyl)propyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate
PubChem CID168818703
Molecular FormulaC19H25FN4O2
Molecular Weight360.43 g/mol
Exact Mass360.20
IUPAC Nametert-butyl 1-[1-(5-fluoro-3-pyridinyl)propyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate
SMILESCCC(c1cncc(F)c1)n1cnc2c1CCN(C(=O)OC(C)(C)C)C2
InChIInChI=1S/C19H25FN4O2/c1-5-16(13-8-14(20)10-21-9-13)24-12-22-15-11-23(7-6-17(15)24)18(25)26-19(2,3)4/h8-10,12,16H,5-7,11H2,1-4H3
InChIKeyNQGYYXPKABAKMU-UHFFFAOYSA-N
XLogP3.71
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 1-[1-(5-fluoro-3-pyridinyl)propyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate with MolForge

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Related Compounds

5-chloro-4-[1-[(1S)-1-(5-fluoro-3-pyridinyl)propyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one
CID 138471781
tert-butyl 3-(2,2-difluoroethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate
CID 138671816
tert-butyl 3-[1-(5-fluoro-3-pyridinyl)ethylamino]azetidine-1-carboxylate
CID 103788166
tert-butyl 3-ethyl-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate;carbon dioxide
CID 160686710
tert-butyl 4-[(5-fluoro-3-pyridinyl)methyl]-4-hydroxypiperidine-1-carboxylate
CID 134496740
tert-butyl (2R,5R)-2-[(5-fluoro-3-pyridinyl)-hydroxymethyl]-5-propylpyrrolidine-1-carboxylate
CID 175179250
tert-butyl (2R,5R)-2-[(R)-(5-fluoro-3-pyridinyl)-hydroxymethyl]-5-propylpyrrolidine-1-carboxylate
CID 155694855
tert-butyl 1-ethyl-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxylate;ethane
CID 171530601
7-[(2-methylpropan-2-yl)oxycarbonyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxylic acid
CID 83920680
tert-butyl 1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxylate;tert-butyl 2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate
CID 158789339
7-O-tert-butyl 3-O-methyl 6,8-dihydro-5H-1,7-naphthyridine-3,7-dicarboxylate
CID 53446461
tert-butyl 1-[1-(4-fluorophenyl)ethyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate
CID 118570103

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-[1-(5-fluoro-3-pyridinyl)propyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate?
The IUPAC name of tert-butyl 1-[1-(5-fluoro-3-pyridinyl)propyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate (CID 168818703) is tert-butyl 1-[1-(5-fluoro-3-pyridinyl)propyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate.
What is the SMILES notation for tert-butyl 1-[1-(5-fluoro-3-pyridinyl)propyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate?
The canonical SMILES for tert-butyl 1-[1-(5-fluoro-3-pyridinyl)propyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate is CCC(c1cncc(F)c1)n1cnc2c1CCN(C(=O)OC(C)(C)C)C2.
What is the InChIKey of tert-butyl 1-[1-(5-fluoro-3-pyridinyl)propyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate?
The InChIKey is NQGYYXPKABAKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O2/c1-5-16(13-8-14(20)10-21-9-13)24-12-22-15-11-23(7-6-17(15)24)18(25)26-19(2,3)4/h8-10,12,16H,5-7,11H2,1-4H3.
What are the key properties of tert-butyl 1-[1-(5-fluoro-3-pyridinyl)propyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate?
tert-butyl 1-[1-(5-fluoro-3-pyridinyl)propyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate has a molecular weight of 360.43 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-[1-(5-fluoro-3-pyridinyl)propyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate is sourced from PubChem (CID 168818703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).