methyl 4,5-dimethoxy-2-[[(4R)-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate

C22H23N5O5 — CID 51974501

IUPACmethyl 4,5-dimethoxy-2-[[(4R)-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate
SMILESCOC(=O)c1cc(OC)c(OC)cc1NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccccn1
InChIInChI=1S/C22H23N5O5/c1-30-17-10-13(21(28)32-3)16(11-18(17)31-2)26-22(29)27-9-7-14-19(25-12-24-14)20(27)15-6-4-5-8-23-15/h4-6,8,10-12,20H,7,9H2,1-3H3,(H,24,25)(H,26,29)/t20-/m1/s1
InChIKeyLILIOJMUKFICJX-HXUWFJFHSA-N
MW437.46 g/mol
LogP2.79
Rot. Bonds5

About methyl 4,5-dimethoxy-2-[[(4R)-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate

methyl 4,5-dimethoxy-2-[[(4R)-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate (PubChem CID 51974501) has the molecular formula C22H23N5O5 and a molecular weight of 437.46 g/mol. Its IUPAC name is methyl 4,5-dimethoxy-2-[[(4R)-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4,5-dimethoxy-2-[[(4R)-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate
PubChem CID51974501
Molecular FormulaC22H23N5O5
Molecular Weight437.46 g/mol
Exact Mass437.17
IUPAC Namemethyl 4,5-dimethoxy-2-[[(4R)-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate
SMILESCOC(=O)c1cc(OC)c(OC)cc1NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccccn1
InChIInChI=1S/C22H23N5O5/c1-30-17-10-13(21(28)32-3)16(11-18(17)31-2)26-22(29)27-9-7-14-19(25-12-24-14)20(27)15-6-4-5-8-23-15/h4-6,8,10-12,20H,7,9H2,1-3H3,(H,24,25)(H,26,29)/t20-/m1/s1
InChIKeyLILIOJMUKFICJX-HXUWFJFHSA-N
XLogP2.79
TPSA118.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.46
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 4,5-dimethoxy-2-[[(4R)-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate?
The IUPAC name of methyl 4,5-dimethoxy-2-[[(4R)-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate (CID 51974501) is methyl 4,5-dimethoxy-2-[[(4R)-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 4,5-dimethoxy-2-[[(4R)-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate?
The canonical SMILES for methyl 4,5-dimethoxy-2-[[(4R)-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate is COC(=O)c1cc(OC)c(OC)cc1NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccccn1.
What is the InChIKey of methyl 4,5-dimethoxy-2-[[(4R)-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate?
The InChIKey is LILIOJMUKFICJX-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H23N5O5/c1-30-17-10-13(21(28)32-3)16(11-18(17)31-2)26-22(29)27-9-7-14-19(25-12-24-14)20(27)15-6-4-5-8-23-15/h4-6,8,10-12,20H,7,9H2,1-3H3,(H,24,25)(H,26,29)/t20-/m1/s1.
What are the key properties of methyl 4,5-dimethoxy-2-[[(4R)-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate?
methyl 4,5-dimethoxy-2-[[(4R)-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate has a molecular weight of 437.46 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,5-dimethoxy-2-[[(4R)-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate is sourced from PubChem (CID 51974501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).