(7S)-7-(methoxymethyl)-1-methyl-5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine

C15H21N3O2 — CID 97382827

IUPAC(7S)-7-(methoxymethyl)-1-methyl-5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCOC[C@H]1CN(Cc2ccc(C)o2)Cc2ncn(C)c21
InChIInChI=1S/C15H21N3O2/c1-11-4-5-13(20-11)7-18-6-12(9-19-3)15-14(8-18)16-10-17(15)2/h4-5,10,12H,6-9H2,1-3H3/t12-/m1/s1
InChIKeyJKNFVRXWCYENMV-GFCCVEGCSA-N
MW275.35 g/mol
LogP2.07
Rot. Bonds4

About (7S)-7-(methoxymethyl)-1-methyl-5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine

(7S)-7-(methoxymethyl)-1-methyl-5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine (PubChem CID 97382827) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is (7S)-7-(methoxymethyl)-1-methyl-5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name(7S)-7-(methoxymethyl)-1-methyl-5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine
PubChem CID97382827
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name(7S)-7-(methoxymethyl)-1-methyl-5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCOC[C@H]1CN(Cc2ccc(C)o2)Cc2ncn(C)c21
InChIInChI=1S/C15H21N3O2/c1-11-4-5-13(20-11)7-18-6-12(9-19-3)15-14(8-18)16-10-17(15)2/h4-5,10,12H,6-9H2,1-3H3/t12-/m1/s1
InChIKeyJKNFVRXWCYENMV-GFCCVEGCSA-N
XLogP2.07
TPSA43.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7S)-7-(methoxymethyl)-1-methyl-5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The IUPAC name of (7S)-7-(methoxymethyl)-1-methyl-5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine (CID 97382827) is (7S)-7-(methoxymethyl)-1-methyl-5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine.
What is the SMILES notation for (7S)-7-(methoxymethyl)-1-methyl-5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The canonical SMILES for (7S)-7-(methoxymethyl)-1-methyl-5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine is COC[C@H]1CN(Cc2ccc(C)o2)Cc2ncn(C)c21.
What is the InChIKey of (7S)-7-(methoxymethyl)-1-methyl-5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The InChIKey is JKNFVRXWCYENMV-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-11-4-5-13(20-11)7-18-6-12(9-19-3)15-14(8-18)16-10-17(15)2/h4-5,10,12H,6-9H2,1-3H3/t12-/m1/s1.
What are the key properties of (7S)-7-(methoxymethyl)-1-methyl-5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
(7S)-7-(methoxymethyl)-1-methyl-5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine has a molecular weight of 275.35 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-(methoxymethyl)-1-methyl-5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 97382827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).