(2R)-2-methoxy-2-phenyl-1-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone

C20H20N4O2 — CID 138012296

IUPAC(2R)-2-methoxy-2-phenyl-1-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
SMILESCO[C@@H](C(=O)N1CCc2[nH]cnc2C1c1cccnc1)c1ccccc1
InChIInChI=1S/C20H20N4O2/c1-26-19(14-6-3-2-4-7-14)20(25)24-11-9-16-17(23-13-22-16)18(24)15-8-5-10-21-12-15/h2-8,10,12-13,18-19H,9,11H2,1H3,(H,22,23)/t18?,19-/m1/s1
InChIKeyMLDBYQXHSYSKPS-MUMRKEEXSA-N
MW348.41 g/mol
LogP2.67
Rot. Bonds4

About (2R)-2-methoxy-2-phenyl-1-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone

(2R)-2-methoxy-2-phenyl-1-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone (PubChem CID 138012296) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is (2R)-2-methoxy-2-phenyl-1-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone.

Molecular Properties

Compound Name(2R)-2-methoxy-2-phenyl-1-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
PubChem CID138012296
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name(2R)-2-methoxy-2-phenyl-1-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
SMILESCO[C@@H](C(=O)N1CCc2[nH]cnc2C1c1cccnc1)c1ccccc1
InChIInChI=1S/C20H20N4O2/c1-26-19(14-6-3-2-4-7-14)20(25)24-11-9-16-17(23-13-22-16)18(24)15-8-5-10-21-12-15/h2-8,10,12-13,18-19H,9,11H2,1H3,(H,22,23)/t18?,19-/m1/s1
InChIKeyMLDBYQXHSYSKPS-MUMRKEEXSA-N
XLogP2.67
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)amino]propanoate
CID 45370927
methyl (2S)-3-phenyl-2-[[(4R)-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]propanoate
CID 39377768
(6-methyl-2,3-dihydro-1,4-dioxin-5-yl)-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 131895282
2-(5-methylpyrazol-1-yl)-1-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
CID 136573149
2-morpholin-4-yl-1-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
CID 138012291
(4R)-N-(1-methyl-3-propan-2-ylpyrazol-5-yl)-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 125173566
(3-ethyl-1H-indol-2-yl)-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 50961516
methyl 5-fluoro-2-[[(4R)-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate
CID 51972042
(2-propyl-4-pyridinyl)-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 50966520
2-(benzotriazol-1-yl)-1-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
CID 166324481
methyl 4-phenyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;2,2,2-trifluoroacetic acid
CID 70118290
(3,5-dimethyl-1-benzofuran-2-yl)-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 70762419

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methoxy-2-phenyl-1-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone?
The IUPAC name of (2R)-2-methoxy-2-phenyl-1-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone (CID 138012296) is (2R)-2-methoxy-2-phenyl-1-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone.
What is the SMILES notation for (2R)-2-methoxy-2-phenyl-1-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone?
The canonical SMILES for (2R)-2-methoxy-2-phenyl-1-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone is CO[C@@H](C(=O)N1CCc2[nH]cnc2C1c1cccnc1)c1ccccc1.
What is the InChIKey of (2R)-2-methoxy-2-phenyl-1-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone?
The InChIKey is MLDBYQXHSYSKPS-MUMRKEEXSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-26-19(14-6-3-2-4-7-14)20(25)24-11-9-16-17(23-13-22-16)18(24)15-8-5-10-21-12-15/h2-8,10,12-13,18-19H,9,11H2,1H3,(H,22,23)/t18?,19-/m1/s1.
What are the key properties of (2R)-2-methoxy-2-phenyl-1-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone?
(2R)-2-methoxy-2-phenyl-1-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone has a molecular weight of 348.41 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methoxy-2-phenyl-1-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone is sourced from PubChem (CID 138012296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).