methyl 3-[[(4R)-4-(2,3-dimethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]propanoate

C19H24N4O5 — CID 39378294

IUPACmethyl 3-[[(4R)-4-(2,3-dimethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]propanoate
SMILESCOC(=O)CCNC(=O)N1CCc2[nH]cnc2[C@H]1c1cccc(OC)c1OC
InChIInChI=1S/C19H24N4O5/c1-26-14-6-4-5-12(18(14)28-3)17-16-13(21-11-22-16)8-10-23(17)19(25)20-9-7-15(24)27-2/h4-6,11,17H,7-10H2,1-3H3,(H,20,25)(H,21,22)/t17-/m1/s1
InChIKeyYRFCKAIZVHKXLB-QGZVFWFLSA-N
MW388.42 g/mol
LogP1.65
Rot. Bonds6

About methyl 3-[[(4R)-4-(2,3-dimethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]propanoate

methyl 3-[[(4R)-4-(2,3-dimethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]propanoate (PubChem CID 39378294) has the molecular formula C19H24N4O5 and a molecular weight of 388.42 g/mol. Its IUPAC name is methyl 3-[[(4R)-4-(2,3-dimethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[(4R)-4-(2,3-dimethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]propanoate
PubChem CID39378294
Molecular FormulaC19H24N4O5
Molecular Weight388.42 g/mol
Exact Mass388.17
IUPAC Namemethyl 3-[[(4R)-4-(2,3-dimethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]propanoate
SMILESCOC(=O)CCNC(=O)N1CCc2[nH]cnc2[C@H]1c1cccc(OC)c1OC
InChIInChI=1S/C19H24N4O5/c1-26-14-6-4-5-12(18(14)28-3)17-16-13(21-11-22-16)8-10-23(17)19(25)20-9-7-15(24)27-2/h4-6,11,17H,7-10H2,1-3H3,(H,20,25)(H,21,22)/t17-/m1/s1
InChIKeyYRFCKAIZVHKXLB-QGZVFWFLSA-N
XLogP1.65
TPSA105.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 3-[[(4R)-4-(2,3-dimethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]propanoate with MolForge

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Related Compounds

methyl 4-[[(4R)-4-(2,3-dichlorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]butanoate
CID 39034739
methyl 3-[[4-(3,5-dimethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]propanoate
CID 42648981
methyl 4-[[4-(2,3-dimethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate
CID 42648903
methyl 3-[[4-(2,3-dimethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate
CID 42648788
methyl (2R)-2-[[(4R)-4-(2,3-dimethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]-4-methylsulfanylbutanoate
CID 51829887
methyl 4-[[4-(3-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]butanoate
CID 42649054
dimethyl (2S)-2-[[(4R)-4-(2-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]butanedioate
CID 39378117
methyl 2-[[(4R)-4-(2-fluoro-4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]acetate
CID 29137347
methyl 3-[[(4R)-4-(2-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate
CID 29147324
dimethyl (2S)-2-[[(4S)-4-(2-chlorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]pentanedioate
CID 29127861
dimethyl (2S)-2-[[4-(2-chlorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]pentanedioate
CID 42650838
methyl 4-[[(4S)-4-(3-chloro-4-fluorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]butanoate
CID 51971394

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[(4R)-4-(2,3-dimethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]propanoate?
The IUPAC name of methyl 3-[[(4R)-4-(2,3-dimethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]propanoate (CID 39378294) is methyl 3-[[(4R)-4-(2,3-dimethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]propanoate.
What is the SMILES notation for methyl 3-[[(4R)-4-(2,3-dimethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]propanoate?
The canonical SMILES for methyl 3-[[(4R)-4-(2,3-dimethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]propanoate is COC(=O)CCNC(=O)N1CCc2[nH]cnc2[C@H]1c1cccc(OC)c1OC.
What is the InChIKey of methyl 3-[[(4R)-4-(2,3-dimethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]propanoate?
The InChIKey is YRFCKAIZVHKXLB-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H24N4O5/c1-26-14-6-4-5-12(18(14)28-3)17-16-13(21-11-22-16)8-10-23(17)19(25)20-9-7-15(24)27-2/h4-6,11,17H,7-10H2,1-3H3,(H,20,25)(H,21,22)/t17-/m1/s1.
What are the key properties of methyl 3-[[(4R)-4-(2,3-dimethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]propanoate?
methyl 3-[[(4R)-4-(2,3-dimethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]propanoate has a molecular weight of 388.42 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[(4R)-4-(2,3-dimethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]propanoate is sourced from PubChem (CID 39378294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).