(6S)-2-butyl-5-(2,2-diphenylacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid

C25H27N3O3 — CID 54394352

IUPAC(6S)-2-butyl-5-(2,2-diphenylacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
SMILESCCCCc1nc2c([nH]1)CN(C(=O)C(c1ccccc1)c1ccccc1)[C@H](C(=O)O)C2
InChIInChI=1S/C25H27N3O3/c1-2-3-14-22-26-19-15-21(25(30)31)28(16-20(19)27-22)24(29)23(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,21,23H,2-3,14-16H2,1H3,(H,26,27)(H,30,31)/t21-/m0/s1
InChIKeyVIWPJGOUUXGMBV-NRFANRHFSA-N
MW417.51 g/mol
LogP3.92
Rot. Bonds7

About (6S)-2-butyl-5-(2,2-diphenylacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid

(6S)-2-butyl-5-(2,2-diphenylacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid (PubChem CID 54394352) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is (6S)-2-butyl-5-(2,2-diphenylacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name(6S)-2-butyl-5-(2,2-diphenylacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
PubChem CID54394352
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC Name(6S)-2-butyl-5-(2,2-diphenylacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
SMILESCCCCc1nc2c([nH]1)CN(C(=O)C(c1ccccc1)c1ccccc1)[C@H](C(=O)O)C2
InChIInChI=1S/C25H27N3O3/c1-2-3-14-22-26-19-15-21(25(30)31)28(16-20(19)27-22)24(29)23(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,21,23H,2-3,14-16H2,1H3,(H,26,27)(H,30,31)/t21-/m0/s1
InChIKeyVIWPJGOUUXGMBV-NRFANRHFSA-N
XLogP3.92
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6S)-2-butyl-5-(2,2-diphenylacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The IUPAC name of (6S)-2-butyl-5-(2,2-diphenylacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid (CID 54394352) is (6S)-2-butyl-5-(2,2-diphenylacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid.
What is the SMILES notation for (6S)-2-butyl-5-(2,2-diphenylacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The canonical SMILES for (6S)-2-butyl-5-(2,2-diphenylacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid is CCCCc1nc2c([nH]1)CN(C(=O)C(c1ccccc1)c1ccccc1)[C@H](C(=O)O)C2.
What is the InChIKey of (6S)-2-butyl-5-(2,2-diphenylacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The InChIKey is VIWPJGOUUXGMBV-NRFANRHFSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-2-3-14-22-26-19-15-21(25(30)31)28(16-20(19)27-22)24(29)23(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,21,23H,2-3,14-16H2,1H3,(H,26,27)(H,30,31)/t21-/m0/s1.
What are the key properties of (6S)-2-butyl-5-(2,2-diphenylacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
(6S)-2-butyl-5-(2,2-diphenylacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid has a molecular weight of 417.51 g/mol, XLogP of 3.92, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-butyl-5-(2,2-diphenylacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 54394352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).