5-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine;formic acid

C20H23N5O4 — CID 154913211

IUPAC5-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine;formic acid
SMILESCOc1ccnc(CN2CCc3[nH]cnc3C2c2cccnc2)c1OC.O=CO
InChIInChI=1S/C19H21N5O2.CH2O2/c1-25-16-5-8-21-15(19(16)26-2)11-24-9-6-14-17(23-12-22-14)18(24)13-4-3-7-20-10-13;2-1-3/h3-5,7-8,10,12,18H,6,9,11H2,1-2H3,(H,22,23);1H,(H,2,3)
InChIKeyWULZXLFWZZJDQM-UHFFFAOYSA-N
MW397.44 g/mol
LogP2.07
Rot. Bonds5

About 5-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine;formic acid

5-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine;formic acid (PubChem CID 154913211) has the molecular formula C20H23N5O4 and a molecular weight of 397.44 g/mol. Its IUPAC name is 5-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine;formic acid.

Molecular Properties

Compound Name5-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine;formic acid
PubChem CID154913211
Molecular FormulaC20H23N5O4
Molecular Weight397.44 g/mol
Exact Mass397.18
IUPAC Name5-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine;formic acid
SMILESCOc1ccnc(CN2CCc3[nH]cnc3C2c2cccnc2)c1OC.O=CO
InChIInChI=1S/C19H21N5O2.CH2O2/c1-25-16-5-8-21-15(19(16)26-2)11-24-9-6-14-17(23-12-22-14)18(24)13-4-3-7-20-10-13;2-1-3/h3-5,7-8,10,12,18H,6,9,11H2,1-2H3,(H,22,23);1H,(H,2,3)
InChIKeyWULZXLFWZZJDQM-UHFFFAOYSA-N
XLogP2.07
TPSA113.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine;formic acid?
The IUPAC name of 5-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine;formic acid (CID 154913211) is 5-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine;formic acid.
What is the SMILES notation for 5-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine;formic acid?
The canonical SMILES for 5-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine;formic acid is COc1ccnc(CN2CCc3[nH]cnc3C2c2cccnc2)c1OC.O=CO.
What is the InChIKey of 5-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine;formic acid?
The InChIKey is WULZXLFWZZJDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2.CH2O2/c1-25-16-5-8-21-15(19(16)26-2)11-24-9-6-14-17(23-12-22-14)18(24)13-4-3-7-20-10-13;2-1-3/h3-5,7-8,10,12,18H,6,9,11H2,1-2H3,(H,22,23);1H,(H,2,3).
What are the key properties of 5-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine;formic acid?
5-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine;formic acid has a molecular weight of 397.44 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine;formic acid is sourced from PubChem (CID 154913211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).