naphthalen-1-ylmethyl 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate

C18H17N3O2 — CID 20803031

IUPACnaphthalen-1-ylmethyl 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate
SMILESO=C(OCc1cccc2ccccc12)N1CCc2nc[nH]c2C1
InChIInChI=1S/C18H17N3O2/c22-18(21-9-8-16-17(10-21)20-12-19-16)23-11-14-6-3-5-13-4-1-2-7-15(13)14/h1-7,12H,8-11H2,(H,19,20)
InChIKeyHFMQFBWTHXWFLA-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.26
Rot. Bonds2

About naphthalen-1-ylmethyl 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate

naphthalen-1-ylmethyl 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate (PubChem CID 20803031) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is naphthalen-1-ylmethyl 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate.

Molecular Properties

Compound Namenaphthalen-1-ylmethyl 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate
PubChem CID20803031
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Namenaphthalen-1-ylmethyl 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate
SMILESO=C(OCc1cccc2ccccc12)N1CCc2nc[nH]c2C1
InChIInChI=1S/C18H17N3O2/c22-18(21-9-8-16-17(10-21)20-12-19-16)23-11-14-6-3-5-13-4-1-2-7-15(13)14/h1-7,12H,8-11H2,(H,19,20)
InChIKeyHFMQFBWTHXWFLA-UHFFFAOYSA-N
XLogP3.26
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-hydroxyphenyl)ethyl 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate
CID 142022577
3-[2-oxo-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethyl]-2H-isoquinolin-1-one
CID 138054087
cyclohexylmethyl 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate
CID 20803093
3-(2-methylphenyl)-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one
CID 110712801
trifluoromethyl 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate
CID 142926418
(2S)-2-amino-3-(1H-indol-3-yl)-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one;dihydrochloride
CID 154901094
4-phenoxy-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)butan-1-one
CID 72878834
4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)-2H-isoquinolin-1-one
CID 154782169
2-chloro-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
CID 131057090
2-(2-methylphenoxy)-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
CID 110712810
N-(2-aminophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 89183129
4-[(2R)-1-oxo-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-2-yl]-2H-phthalazin-1-one
CID 97208178

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-ylmethyl 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate?
The IUPAC name of naphthalen-1-ylmethyl 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate (CID 20803031) is naphthalen-1-ylmethyl 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate.
What is the SMILES notation for naphthalen-1-ylmethyl 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate?
The canonical SMILES for naphthalen-1-ylmethyl 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate is O=C(OCc1cccc2ccccc12)N1CCc2nc[nH]c2C1.
What is the InChIKey of naphthalen-1-ylmethyl 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate?
The InChIKey is HFMQFBWTHXWFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c22-18(21-9-8-16-17(10-21)20-12-19-16)23-11-14-6-3-5-13-4-1-2-7-15(13)14/h1-7,12H,8-11H2,(H,19,20).
What are the key properties of naphthalen-1-ylmethyl 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate?
naphthalen-1-ylmethyl 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate has a molecular weight of 307.35 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-ylmethyl 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate is sourced from PubChem (CID 20803031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).