5-[(3,4-dimethoxy-2-pyridinyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine

C14H18N4O2 — CID 72839057

IUPAC5-[(3,4-dimethoxy-2-pyridinyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCOc1ccnc(CN2CCc3nc[nH]c3C2)c1OC
InChIInChI=1S/C14H18N4O2/c1-19-13-3-5-15-12(14(13)20-2)8-18-6-4-10-11(7-18)17-9-16-10/h3,5,9H,4,6-8H2,1-2H3,(H,16,17)
InChIKeyRFTBMSDMCUFPRX-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.38
Rot. Bonds4

About 5-[(3,4-dimethoxy-2-pyridinyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine

5-[(3,4-dimethoxy-2-pyridinyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 72839057) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 5-[(3,4-dimethoxy-2-pyridinyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name5-[(3,4-dimethoxy-2-pyridinyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID72839057
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name5-[(3,4-dimethoxy-2-pyridinyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCOc1ccnc(CN2CCc3nc[nH]c3C2)c1OC
InChIInChI=1S/C14H18N4O2/c1-19-13-3-5-15-12(14(13)20-2)8-18-6-4-10-11(7-18)17-9-16-10/h3,5,9H,4,6-8H2,1-2H3,(H,16,17)
InChIKeyRFTBMSDMCUFPRX-UHFFFAOYSA-N
XLogP1.38
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dimethoxy-2-pyridinyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 5-[(3,4-dimethoxy-2-pyridinyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 72839057) is 5-[(3,4-dimethoxy-2-pyridinyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 5-[(3,4-dimethoxy-2-pyridinyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 5-[(3,4-dimethoxy-2-pyridinyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine is COc1ccnc(CN2CCc3nc[nH]c3C2)c1OC.
What is the InChIKey of 5-[(3,4-dimethoxy-2-pyridinyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is RFTBMSDMCUFPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-19-13-3-5-15-12(14(13)20-2)8-18-6-4-10-11(7-18)17-9-16-10/h3,5,9H,4,6-8H2,1-2H3,(H,16,17).
What are the key properties of 5-[(3,4-dimethoxy-2-pyridinyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
5-[(3,4-dimethoxy-2-pyridinyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 274.32 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dimethoxy-2-pyridinyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 72839057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).