(4S)-5-[(6-ethoxy-3-pyridinyl)methyl]-4-(3-fluorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine

C20H21FN4O — CID 95220011

IUPAC(4S)-5-[(6-ethoxy-3-pyridinyl)methyl]-4-(3-fluorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCCOc1ccc(CN2CCc3[nH]cnc3[C@@H]2c2cccc(F)c2)cn1
InChIInChI=1S/C20H21FN4O/c1-2-26-18-7-6-14(11-22-18)12-25-9-8-17-19(24-13-23-17)20(25)15-4-3-5-16(21)10-15/h3-7,10-11,13,20H,2,8-9,12H2,1H3,(H,23,24)/t20-/m0/s1
InChIKeyWKFRFUVWJYLREZ-FQEVSTJZSA-N
MW352.41 g/mol
LogP3.49
Rot. Bonds5

About (4S)-5-[(6-ethoxy-3-pyridinyl)methyl]-4-(3-fluorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine

(4S)-5-[(6-ethoxy-3-pyridinyl)methyl]-4-(3-fluorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 95220011) has the molecular formula C20H21FN4O and a molecular weight of 352.41 g/mol. Its IUPAC name is (4S)-5-[(6-ethoxy-3-pyridinyl)methyl]-4-(3-fluorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name(4S)-5-[(6-ethoxy-3-pyridinyl)methyl]-4-(3-fluorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID95220011
Molecular FormulaC20H21FN4O
Molecular Weight352.41 g/mol
Exact Mass352.17
IUPAC Name(4S)-5-[(6-ethoxy-3-pyridinyl)methyl]-4-(3-fluorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCCOc1ccc(CN2CCc3[nH]cnc3[C@@H]2c2cccc(F)c2)cn1
InChIInChI=1S/C20H21FN4O/c1-2-26-18-7-6-14(11-22-18)12-25-9-8-17-19(24-13-23-17)20(25)15-4-3-5-16(21)10-15/h3-7,10-11,13,20H,2,8-9,12H2,1H3,(H,23,24)/t20-/m0/s1
InChIKeyWKFRFUVWJYLREZ-FQEVSTJZSA-N
XLogP3.49
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4S)-5-[(6-ethoxy-3-pyridinyl)methyl]-4-(3-fluorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine with MolForge

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Related Compounds

5-[(3,4-difluorophenyl)methyl]-4-(3-fluorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 56714216
3-[5-[(5-fluoro-2-methoxyphenyl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]benzonitrile
CID 56884989
4-(3-pyrazol-1-ylphenyl)-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 56863784
2-ethoxy-5-[[(2R)-2-(4-fluorophenyl)azetidin-1-yl]methyl]pyridine
CID 99936278
4-(3-ethoxy-4-methoxyphenyl)-5-(furan-2-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 56718192
3-[5-[(2-butyl-1H-imidazol-5-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenol
CID 56707792
(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
(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
2-ethoxy-4-[5-[(5-methyl-1H-imidazol-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenol
CID 56715566
ethane;N-[3-[4-(3-fluorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propyl]-N,3-dimethylbenzamide
CID 90967128
ethane;1-[4-(3-fluorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-[methyl-[(3-methylphenyl)methyl]amino]propan-1-one
CID 91332114

Frequently Asked Questions

What is the IUPAC name of (4S)-5-[(6-ethoxy-3-pyridinyl)methyl]-4-(3-fluorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of (4S)-5-[(6-ethoxy-3-pyridinyl)methyl]-4-(3-fluorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 95220011) is (4S)-5-[(6-ethoxy-3-pyridinyl)methyl]-4-(3-fluorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for (4S)-5-[(6-ethoxy-3-pyridinyl)methyl]-4-(3-fluorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for (4S)-5-[(6-ethoxy-3-pyridinyl)methyl]-4-(3-fluorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine is CCOc1ccc(CN2CCc3[nH]cnc3[C@@H]2c2cccc(F)c2)cn1.
What is the InChIKey of (4S)-5-[(6-ethoxy-3-pyridinyl)methyl]-4-(3-fluorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is WKFRFUVWJYLREZ-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H21FN4O/c1-2-26-18-7-6-14(11-22-18)12-25-9-8-17-19(24-13-23-17)20(25)15-4-3-5-16(21)10-15/h3-7,10-11,13,20H,2,8-9,12H2,1H3,(H,23,24)/t20-/m0/s1.
What are the key properties of (4S)-5-[(6-ethoxy-3-pyridinyl)methyl]-4-(3-fluorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
(4S)-5-[(6-ethoxy-3-pyridinyl)methyl]-4-(3-fluorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 352.41 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5-[(6-ethoxy-3-pyridinyl)methyl]-4-(3-fluorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 95220011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).