cyclopentyl 4-phenyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate

C18H21N3O2 — CID 70119630

IUPACcyclopentyl 4-phenyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate
SMILESO=C(OC1CCCC1)N1CCc2[nH]cnc2C1c1ccccc1
InChIInChI=1S/C18H21N3O2/c22-18(23-14-8-4-5-9-14)21-11-10-15-16(20-12-19-15)17(21)13-6-2-1-3-7-13/h1-3,6-7,12,14,17H,4-5,8-11H2,(H,19,20)
InChIKeyBKZPCFDZTOBLJG-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.44
Rot. Bonds2

About cyclopentyl 4-phenyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate

cyclopentyl 4-phenyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate (PubChem CID 70119630) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is cyclopentyl 4-phenyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate.

Molecular Properties

Compound Namecyclopentyl 4-phenyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate
PubChem CID70119630
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Namecyclopentyl 4-phenyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate
SMILESO=C(OC1CCCC1)N1CCc2[nH]cnc2C1c1ccccc1
InChIInChI=1S/C18H21N3O2/c22-18(23-14-8-4-5-9-14)21-11-10-15-16(20-12-19-15)17(21)13-6-2-1-3-7-13/h1-3,6-7,12,14,17H,4-5,8-11H2,(H,19,20)
InChIKeyBKZPCFDZTOBLJG-UHFFFAOYSA-N
XLogP3.44
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-4-phenyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 138007076
methyl 4-phenyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;2,2,2-trifluoroacetic acid
CID 70118290
cyclopentyl 4-propyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate
CID 70119888
2-phenoxy-1-(4-phenyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone;2,2,2-trifluoroacetic acid
CID 70119847
4-phenyl-N-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide
CID 4111938
tert-butyl 4-[4-(trifluoromethyl)phenyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate
CID 57326111
N-propan-2-yl-4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 21330714
(2R)-2-methoxy-2-phenyl-1-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
CID 138012296
2-[[(4R)-4-(4-chlorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoic acid
CID 51971957
1-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-quinolin-8-ylethanone
CID 92614221
(2R)-2-(2-fluorophenoxy)-1-[(4S)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one
CID 92551387
(2-cyclopropylquinolin-4-yl)-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 92614361

Frequently Asked Questions

What is the IUPAC name of cyclopentyl 4-phenyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate?
The IUPAC name of cyclopentyl 4-phenyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate (CID 70119630) is cyclopentyl 4-phenyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate.
What is the SMILES notation for cyclopentyl 4-phenyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate?
The canonical SMILES for cyclopentyl 4-phenyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate is O=C(OC1CCCC1)N1CCc2[nH]cnc2C1c1ccccc1.
What is the InChIKey of cyclopentyl 4-phenyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate?
The InChIKey is BKZPCFDZTOBLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c22-18(23-14-8-4-5-9-14)21-11-10-15-16(20-12-19-15)17(21)13-6-2-1-3-7-13/h1-3,6-7,12,14,17H,4-5,8-11H2,(H,19,20).
What are the key properties of cyclopentyl 4-phenyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate?
cyclopentyl 4-phenyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate has a molecular weight of 311.38 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 4-phenyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate is sourced from PubChem (CID 70119630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).