(6R)-5-[5-(diethylaminomethyl)-2-methylfuran-3-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid

C18H24N4O4 — CID 97454103

IUPAC(6R)-5-[5-(diethylaminomethyl)-2-methylfuran-3-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
SMILESCCN(CC)Cc1cc(C(=O)N2Cc3[nH]cnc3C[C@@H]2C(=O)O)c(C)o1
InChIInChI=1S/C18H24N4O4/c1-4-21(5-2)8-12-6-13(11(3)26-12)17(23)22-9-15-14(19-10-20-15)7-16(22)18(24)25/h6,10,16H,4-5,7-9H2,1-3H3,(H,19,20)(H,24,25)/t16-/m1/s1
InChIKeyXIPBHDVGXXOJRL-MRXNPFEDSA-N
MW360.41 g/mol
LogP1.80
Rot. Bonds6

About (6R)-5-[5-(diethylaminomethyl)-2-methylfuran-3-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid

(6R)-5-[5-(diethylaminomethyl)-2-methylfuran-3-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid (PubChem CID 97454103) has the molecular formula C18H24N4O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is (6R)-5-[5-(diethylaminomethyl)-2-methylfuran-3-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name(6R)-5-[5-(diethylaminomethyl)-2-methylfuran-3-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
PubChem CID97454103
Molecular FormulaC18H24N4O4
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC Name(6R)-5-[5-(diethylaminomethyl)-2-methylfuran-3-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
SMILESCCN(CC)Cc1cc(C(=O)N2Cc3[nH]cnc3C[C@@H]2C(=O)O)c(C)o1
InChIInChI=1S/C18H24N4O4/c1-4-21(5-2)8-12-6-13(11(3)26-12)17(23)22-9-15-14(19-10-20-15)7-16(22)18(24)25/h6,10,16H,4-5,7-9H2,1-3H3,(H,19,20)(H,24,25)/t16-/m1/s1
InChIKeyXIPBHDVGXXOJRL-MRXNPFEDSA-N
XLogP1.80
TPSA102.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6R)-5-[5-(diethylaminomethyl)-2-methylfuran-3-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The IUPAC name of (6R)-5-[5-(diethylaminomethyl)-2-methylfuran-3-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid (CID 97454103) is (6R)-5-[5-(diethylaminomethyl)-2-methylfuran-3-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid.
What is the SMILES notation for (6R)-5-[5-(diethylaminomethyl)-2-methylfuran-3-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The canonical SMILES for (6R)-5-[5-(diethylaminomethyl)-2-methylfuran-3-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid is CCN(CC)Cc1cc(C(=O)N2Cc3[nH]cnc3C[C@@H]2C(=O)O)c(C)o1.
What is the InChIKey of (6R)-5-[5-(diethylaminomethyl)-2-methylfuran-3-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The InChIKey is XIPBHDVGXXOJRL-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H24N4O4/c1-4-21(5-2)8-12-6-13(11(3)26-12)17(23)22-9-15-14(19-10-20-15)7-16(22)18(24)25/h6,10,16H,4-5,7-9H2,1-3H3,(H,19,20)(H,24,25)/t16-/m1/s1.
What are the key properties of (6R)-5-[5-(diethylaminomethyl)-2-methylfuran-3-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
(6R)-5-[5-(diethylaminomethyl)-2-methylfuran-3-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid has a molecular weight of 360.41 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-5-[5-(diethylaminomethyl)-2-methylfuran-3-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 97454103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).