(4R)-4-(1-benzofuran-2-yl)-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine

C20H18N4O — CID 95212685

IUPAC(4R)-4-(1-benzofuran-2-yl)-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESc1cncc(CN2CCc3[nH]cnc3[C@@H]2c2cc3ccccc3o2)c1
InChIInChI=1S/C20H18N4O/c1-2-6-17-15(5-1)10-18(25-17)20-19-16(22-13-23-19)7-9-24(20)12-14-4-3-8-21-11-14/h1-6,8,10-11,13,20H,7,9,12H2,(H,22,23)/t20-/m0/s1
InChIKeyVPUATVMLOSFKGQ-FQEVSTJZSA-N
MW330.39 g/mol
LogP3.70
Rot. Bonds3

About (4R)-4-(1-benzofuran-2-yl)-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine

(4R)-4-(1-benzofuran-2-yl)-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 95212685) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is (4R)-4-(1-benzofuran-2-yl)-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name(4R)-4-(1-benzofuran-2-yl)-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID95212685
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC Name(4R)-4-(1-benzofuran-2-yl)-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESc1cncc(CN2CCc3[nH]cnc3[C@@H]2c2cc3ccccc3o2)c1
InChIInChI=1S/C20H18N4O/c1-2-6-17-15(5-1)10-18(25-17)20-19-16(22-13-23-19)7-9-24(20)12-14-4-3-8-21-11-14/h1-6,8,10-11,13,20H,7,9,12H2,(H,22,23)/t20-/m0/s1
InChIKeyVPUATVMLOSFKGQ-FQEVSTJZSA-N
XLogP3.70
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4R)-4-(1-benzofuran-2-yl)-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine with MolForge

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Related Compounds

(4S)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 95194123
4-(3-pyrazol-1-ylphenyl)-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 56863784
[(4R)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-oxazol-5-yl)methanone
CID 177297673
azetidin-1-yl-[(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 177297484
(4R)-4-(1-benzofuran-2-yl)-5-[5-(trifluoromethyl)-2-pyridinyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 169164064
2-[(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 169163865
(4R)-4-(3-chloro-5-fluoro-4-methoxyphenyl)-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 95861166
(4R)-5-[(1-ethylindol-6-yl)methyl]-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 99946292
2-[(4R)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-4-methyl-1,3-thiazole
CID 169164254
1-[(4R)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-4,4-dimethylpentan-1-one
CID 169164212
[(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-(trifluoromethyl)-1,3-oxazol-5-yl]methanone
CID 169164258
1-[(4R)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-cyclopentylpropan-1-one
CID 169164484

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(1-benzofuran-2-yl)-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of (4R)-4-(1-benzofuran-2-yl)-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 95212685) is (4R)-4-(1-benzofuran-2-yl)-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for (4R)-4-(1-benzofuran-2-yl)-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for (4R)-4-(1-benzofuran-2-yl)-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine is c1cncc(CN2CCc3[nH]cnc3[C@@H]2c2cc3ccccc3o2)c1.
What is the InChIKey of (4R)-4-(1-benzofuran-2-yl)-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is VPUATVMLOSFKGQ-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H18N4O/c1-2-6-17-15(5-1)10-18(25-17)20-19-16(22-13-23-19)7-9-24(20)12-14-4-3-8-21-11-14/h1-6,8,10-11,13,20H,7,9,12H2,(H,22,23)/t20-/m0/s1.
What are the key properties of (4R)-4-(1-benzofuran-2-yl)-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
(4R)-4-(1-benzofuran-2-yl)-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 330.39 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(1-benzofuran-2-yl)-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 95212685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).