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

C23H24N4O5 — CID 29147617

IUPACmethyl 4-[[(4S)-4-(3,5-dimethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)N2CCc3[nH]cnc3[C@@H]2c2cc(OC)cc(OC)c2)cc1
InChIInChI=1S/C23H24N4O5/c1-30-17-10-15(11-18(12-17)31-2)21-20-19(24-13-25-20)8-9-27(21)23(29)26-16-6-4-14(5-7-16)22(28)32-3/h4-7,10-13,21H,8-9H2,1-3H3,(H,24,25)(H,26,29)/t21-/m0/s1
InChIKeyMHCGUEJBHUWTCL-NRFANRHFSA-N
MW436.47 g/mol
LogP3.39
Rot. Bonds5

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

methyl 4-[[(4S)-4-(3,5-dimethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate (PubChem CID 29147617) has the molecular formula C23H24N4O5 and a molecular weight of 436.47 g/mol. Its IUPAC name is methyl 4-[[(4S)-4-(3,5-dimethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[(4S)-4-(3,5-dimethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate
PubChem CID29147617
Molecular FormulaC23H24N4O5
Molecular Weight436.47 g/mol
Exact Mass436.17
IUPAC Namemethyl 4-[[(4S)-4-(3,5-dimethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)N2CCc3[nH]cnc3[C@@H]2c2cc(OC)cc(OC)c2)cc1
InChIInChI=1S/C23H24N4O5/c1-30-17-10-15(11-18(12-17)31-2)21-20-19(24-13-25-20)8-9-27(21)23(29)26-16-6-4-14(5-7-16)22(28)32-3/h4-7,10-13,21H,8-9H2,1-3H3,(H,24,25)(H,26,29)/t21-/m0/s1
InChIKeyMHCGUEJBHUWTCL-NRFANRHFSA-N
XLogP3.39
TPSA105.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

methyl 4-[[(4R)-4-(3,5-dimethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate
CID 29147620
4-[[(4R)-4-(3,5-dimethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoic acid
CID 51974804
methyl 4-[[(4S)-4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate
CID 39378080
4-[[(4S)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoic acid
CID 51974744
methyl 4-[[(4R)-4-(3-chlorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate
CID 29130773
methyl 4-[[(4S)-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate
CID 39377567
methyl 2-[[(4S)-4-(3,5-dimethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]-5-fluorobenzoate
CID 51973340
methyl 4-[[4-(2,3-dimethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate
CID 42648903
4-[[(4R)-4-(2,5-dimethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoic acid
CID 51974677
methyl 4-[[(4S)-4-(2,3-difluorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate
CID 29139330
methyl 3-[[(4R)-4-(3,4-dimethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate
CID 39377932
N-(4-ethoxyphenyl)-4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 53145387

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(4S)-4-(3,5-dimethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate?
The IUPAC name of methyl 4-[[(4S)-4-(3,5-dimethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate (CID 29147617) is methyl 4-[[(4S)-4-(3,5-dimethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[(4S)-4-(3,5-dimethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate?
The canonical SMILES for methyl 4-[[(4S)-4-(3,5-dimethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate is COC(=O)c1ccc(NC(=O)N2CCc3[nH]cnc3[C@@H]2c2cc(OC)cc(OC)c2)cc1.
What is the InChIKey of methyl 4-[[(4S)-4-(3,5-dimethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate?
The InChIKey is MHCGUEJBHUWTCL-NRFANRHFSA-N. The full InChI is InChI=1S/C23H24N4O5/c1-30-17-10-15(11-18(12-17)31-2)21-20-19(24-13-25-20)8-9-27(21)23(29)26-16-6-4-14(5-7-16)22(28)32-3/h4-7,10-13,21H,8-9H2,1-3H3,(H,24,25)(H,26,29)/t21-/m0/s1.
What are the key properties of methyl 4-[[(4S)-4-(3,5-dimethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate?
methyl 4-[[(4S)-4-(3,5-dimethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate has a molecular weight of 436.47 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(4S)-4-(3,5-dimethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate is sourced from PubChem (CID 29147617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).