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

C19H24N4O5 — CID 42648981

IUPACmethyl 3-[[4-(3,5-dimethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]propanoate
SMILESCOC(=O)CCNC(=O)N1CCc2[nH]cnc2C1c1cc(OC)cc(OC)c1
InChIInChI=1S/C19H24N4O5/c1-26-13-8-12(9-14(10-13)27-2)18-17-15(21-11-22-17)5-7-23(18)19(25)20-6-4-16(24)28-3/h8-11,18H,4-7H2,1-3H3,(H,20,25)(H,21,22)
InChIKeyFSTZQJLQKPWSJY-UHFFFAOYSA-N
MW388.42 g/mol
LogP1.65
Rot. Bonds6

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

methyl 3-[[4-(3,5-dimethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]propanoate (PubChem CID 42648981) has the molecular formula C19H24N4O5 and a molecular weight of 388.42 g/mol. Its IUPAC name is methyl 3-[[4-(3,5-dimethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[4-(3,5-dimethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]propanoate
PubChem CID42648981
Molecular FormulaC19H24N4O5
Molecular Weight388.42 g/mol
Exact Mass388.17
IUPAC Namemethyl 3-[[4-(3,5-dimethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]propanoate
SMILESCOC(=O)CCNC(=O)N1CCc2[nH]cnc2C1c1cc(OC)cc(OC)c1
InChIInChI=1S/C19H24N4O5/c1-26-13-8-12(9-14(10-13)27-2)18-17-15(21-11-22-17)5-7-23(18)19(25)20-6-4-16(24)28-3/h8-11,18H,4-7H2,1-3H3,(H,20,25)(H,21,22)
InChIKeyFSTZQJLQKPWSJY-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[[4-(3,5-dimethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]propanoate?
The IUPAC name of methyl 3-[[4-(3,5-dimethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]propanoate (CID 42648981) is methyl 3-[[4-(3,5-dimethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]propanoate.
What is the SMILES notation for methyl 3-[[4-(3,5-dimethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]propanoate?
The canonical SMILES for methyl 3-[[4-(3,5-dimethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]propanoate is COC(=O)CCNC(=O)N1CCc2[nH]cnc2C1c1cc(OC)cc(OC)c1.
What is the InChIKey of methyl 3-[[4-(3,5-dimethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]propanoate?
The InChIKey is FSTZQJLQKPWSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O5/c1-26-13-8-12(9-14(10-13)27-2)18-17-15(21-11-22-17)5-7-23(18)19(25)20-6-4-16(24)28-3/h8-11,18H,4-7H2,1-3H3,(H,20,25)(H,21,22).
What are the key properties of methyl 3-[[4-(3,5-dimethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]propanoate?
methyl 3-[[4-(3,5-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-[[4-(3,5-dimethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]propanoate is sourced from PubChem (CID 42648981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).