(2S)-2-[3-(imidazo[1,5-a]pyridin-3-ylmethyl)-2-oxoimidazolidin-1-yl]-3,3,5,5-tetramethylhexanoic acid

C21H30N4O3 — CID 67406046

IUPAC(2S)-2-[3-(imidazo[1,5-a]pyridin-3-ylmethyl)-2-oxoimidazolidin-1-yl]-3,3,5,5-tetramethylhexanoic acid
SMILESCC(C)(C)CC(C)(C)[C@@H](C(=O)O)N1CCN(Cc2ncc3ccccn23)C1=O
InChIInChI=1S/C21H30N4O3/c1-20(2,3)14-21(4,5)17(18(26)27)25-11-10-23(19(25)28)13-16-22-12-15-8-6-7-9-24(15)16/h6-9,12,17H,10-11,13-14H2,1-5H3,(H,26,27)/t17-/m1/s1
InChIKeyDTBJMRNHEZIIMM-QGZVFWFLSA-N
MW386.50 g/mol
LogP3.49
Rot. Bonds6

About (2S)-2-[3-(imidazo[1,5-a]pyridin-3-ylmethyl)-2-oxoimidazolidin-1-yl]-3,3,5,5-tetramethylhexanoic acid

(2S)-2-[3-(imidazo[1,5-a]pyridin-3-ylmethyl)-2-oxoimidazolidin-1-yl]-3,3,5,5-tetramethylhexanoic acid (PubChem CID 67406046) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is (2S)-2-[3-(imidazo[1,5-a]pyridin-3-ylmethyl)-2-oxoimidazolidin-1-yl]-3,3,5,5-tetramethylhexanoic acid.

Molecular Properties

Compound Name(2S)-2-[3-(imidazo[1,5-a]pyridin-3-ylmethyl)-2-oxoimidazolidin-1-yl]-3,3,5,5-tetramethylhexanoic acid
PubChem CID67406046
Molecular FormulaC21H30N4O3
Molecular Weight386.50 g/mol
Exact Mass386.23
IUPAC Name(2S)-2-[3-(imidazo[1,5-a]pyridin-3-ylmethyl)-2-oxoimidazolidin-1-yl]-3,3,5,5-tetramethylhexanoic acid
SMILESCC(C)(C)CC(C)(C)[C@@H](C(=O)O)N1CCN(Cc2ncc3ccccn23)C1=O
InChIInChI=1S/C21H30N4O3/c1-20(2,3)14-21(4,5)17(18(26)27)25-11-10-23(19(25)28)13-16-22-12-15-8-6-7-9-24(15)16/h6-9,12,17H,10-11,13-14H2,1-5H3,(H,26,27)/t17-/m1/s1
InChIKeyDTBJMRNHEZIIMM-QGZVFWFLSA-N
XLogP3.49
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-(imidazo[1,5-a]pyridin-3-ylmethyl)-2-oxoimidazolidin-1-yl]-3,3,5,5-tetramethylhexanoic acid?
The IUPAC name of (2S)-2-[3-(imidazo[1,5-a]pyridin-3-ylmethyl)-2-oxoimidazolidin-1-yl]-3,3,5,5-tetramethylhexanoic acid (CID 67406046) is (2S)-2-[3-(imidazo[1,5-a]pyridin-3-ylmethyl)-2-oxoimidazolidin-1-yl]-3,3,5,5-tetramethylhexanoic acid.
What is the SMILES notation for (2S)-2-[3-(imidazo[1,5-a]pyridin-3-ylmethyl)-2-oxoimidazolidin-1-yl]-3,3,5,5-tetramethylhexanoic acid?
The canonical SMILES for (2S)-2-[3-(imidazo[1,5-a]pyridin-3-ylmethyl)-2-oxoimidazolidin-1-yl]-3,3,5,5-tetramethylhexanoic acid is CC(C)(C)CC(C)(C)[C@@H](C(=O)O)N1CCN(Cc2ncc3ccccn23)C1=O.
What is the InChIKey of (2S)-2-[3-(imidazo[1,5-a]pyridin-3-ylmethyl)-2-oxoimidazolidin-1-yl]-3,3,5,5-tetramethylhexanoic acid?
The InChIKey is DTBJMRNHEZIIMM-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H30N4O3/c1-20(2,3)14-21(4,5)17(18(26)27)25-11-10-23(19(25)28)13-16-22-12-15-8-6-7-9-24(15)16/h6-9,12,17H,10-11,13-14H2,1-5H3,(H,26,27)/t17-/m1/s1.
What are the key properties of (2S)-2-[3-(imidazo[1,5-a]pyridin-3-ylmethyl)-2-oxoimidazolidin-1-yl]-3,3,5,5-tetramethylhexanoic acid?
(2S)-2-[3-(imidazo[1,5-a]pyridin-3-ylmethyl)-2-oxoimidazolidin-1-yl]-3,3,5,5-tetramethylhexanoic acid has a molecular weight of 386.50 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[3-(imidazo[1,5-a]pyridin-3-ylmethyl)-2-oxoimidazolidin-1-yl]-3,3,5,5-tetramethylhexanoic acid is sourced from PubChem (CID 67406046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).