[5-ethyl-4-(methoxymethyl)furan-2-yl]-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone

C22H25N3O4 — CID 92588449

IUPAC[5-ethyl-4-(methoxymethyl)furan-2-yl]-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
SMILESCCc1oc(C(=O)N2CCc3[nH]cnc3[C@H]2c2ccc(OC)cc2)cc1COC
InChIInChI=1S/C22H25N3O4/c1-4-18-15(12-27-2)11-19(29-18)22(26)25-10-9-17-20(24-13-23-17)21(25)14-5-7-16(28-3)8-6-14/h5-8,11,13,21H,4,9-10,12H2,1-3H3,(H,23,24)/t21-/m1/s1
InChIKeyWEQUDWSIOQEAPW-OAQYLSRUSA-N
MW395.46 g/mol
LogP3.51
Rot. Bonds6

About [5-ethyl-4-(methoxymethyl)furan-2-yl]-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone

[5-ethyl-4-(methoxymethyl)furan-2-yl]-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (PubChem CID 92588449) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is [5-ethyl-4-(methoxymethyl)furan-2-yl]-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name[5-ethyl-4-(methoxymethyl)furan-2-yl]-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
PubChem CID92588449
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Name[5-ethyl-4-(methoxymethyl)furan-2-yl]-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
SMILESCCc1oc(C(=O)N2CCc3[nH]cnc3[C@H]2c2ccc(OC)cc2)cc1COC
InChIInChI=1S/C22H25N3O4/c1-4-18-15(12-27-2)11-19(29-18)22(26)25-10-9-17-20(24-13-23-17)21(25)14-5-7-16(28-3)8-6-14/h5-8,11,13,21H,4,9-10,12H2,1-3H3,(H,23,24)/t21-/m1/s1
InChIKeyWEQUDWSIOQEAPW-OAQYLSRUSA-N
XLogP3.51
TPSA80.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5-ethyl-4-(methoxymethyl)furan-2-yl]-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-[4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 46979992
2-(3H-benzimidazol-5-yl)-1-[(4S)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone
CID 92612204
(6-ethyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(4S)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 92614339
[5-(1-ethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 46978828
2-[(4-methoxyphenyl)methyl-methylamino]-1-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone
CID 92607565
1-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-quinolin-8-ylethanone
CID 92614221
(2S)-2-(3-fluorophenoxy)-1-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one
CID 92551386
(2-cyclopropylquinolin-4-yl)-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 92614361
4-[[(4S)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoic acid
CID 51974744
methyl 2-[[4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate
CID 42648805
[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone
CID 92614421
methyl (2R)-2-[[(4S)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]-3-phenylpropanoate
CID 51837584

Frequently Asked Questions

What is the IUPAC name of [5-ethyl-4-(methoxymethyl)furan-2-yl]-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of [5-ethyl-4-(methoxymethyl)furan-2-yl]-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (CID 92588449) is [5-ethyl-4-(methoxymethyl)furan-2-yl]-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.
What is the SMILES notation for [5-ethyl-4-(methoxymethyl)furan-2-yl]-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for [5-ethyl-4-(methoxymethyl)furan-2-yl]-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is CCc1oc(C(=O)N2CCc3[nH]cnc3[C@H]2c2ccc(OC)cc2)cc1COC.
What is the InChIKey of [5-ethyl-4-(methoxymethyl)furan-2-yl]-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is WEQUDWSIOQEAPW-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-4-18-15(12-27-2)11-19(29-18)22(26)25-10-9-17-20(24-13-23-17)21(25)14-5-7-16(28-3)8-6-14/h5-8,11,13,21H,4,9-10,12H2,1-3H3,(H,23,24)/t21-/m1/s1.
What are the key properties of [5-ethyl-4-(methoxymethyl)furan-2-yl]-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
[5-ethyl-4-(methoxymethyl)furan-2-yl]-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 395.46 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-ethyl-4-(methoxymethyl)furan-2-yl]-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 92588449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).