7-(6-morpholin-4-yl-3-pyridinyl)-1-propan-2-ylimidazo[1,5-a]pyridine-5-carboxylic acid

C20H22N4O3 — CID 121440160

IUPAC7-(6-morpholin-4-yl-3-pyridinyl)-1-propan-2-ylimidazo[1,5-a]pyridine-5-carboxylic acid
SMILESCC(C)c1ncn2c(C(=O)O)cc(-c3ccc(N4CCOCC4)nc3)cc12
InChIInChI=1S/C20H22N4O3/c1-13(2)19-16-9-15(10-17(20(25)26)24(16)12-22-19)14-3-4-18(21-11-14)23-5-7-27-8-6-23/h3-4,9-13H,5-8H2,1-2H3,(H,25,26)
InChIKeyGTXOJIVEEPUXIL-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.05
Rot. Bonds4

About 7-(6-morpholin-4-yl-3-pyridinyl)-1-propan-2-ylimidazo[1,5-a]pyridine-5-carboxylic acid

7-(6-morpholin-4-yl-3-pyridinyl)-1-propan-2-ylimidazo[1,5-a]pyridine-5-carboxylic acid (PubChem CID 121440160) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 7-(6-morpholin-4-yl-3-pyridinyl)-1-propan-2-ylimidazo[1,5-a]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name7-(6-morpholin-4-yl-3-pyridinyl)-1-propan-2-ylimidazo[1,5-a]pyridine-5-carboxylic acid
PubChem CID121440160
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name7-(6-morpholin-4-yl-3-pyridinyl)-1-propan-2-ylimidazo[1,5-a]pyridine-5-carboxylic acid
SMILESCC(C)c1ncn2c(C(=O)O)cc(-c3ccc(N4CCOCC4)nc3)cc12
InChIInChI=1S/C20H22N4O3/c1-13(2)19-16-9-15(10-17(20(25)26)24(16)12-22-19)14-3-4-18(21-11-14)23-5-7-27-8-6-23/h3-4,9-13H,5-8H2,1-2H3,(H,25,26)
InChIKeyGTXOJIVEEPUXIL-UHFFFAOYSA-N
XLogP3.05
TPSA79.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(6-morpholin-4-yl-3-pyridinyl)-1-propan-2-ylimidazo[1,5-a]pyridine-5-carboxylic acid?
The IUPAC name of 7-(6-morpholin-4-yl-3-pyridinyl)-1-propan-2-ylimidazo[1,5-a]pyridine-5-carboxylic acid (CID 121440160) is 7-(6-morpholin-4-yl-3-pyridinyl)-1-propan-2-ylimidazo[1,5-a]pyridine-5-carboxylic acid.
What is the SMILES notation for 7-(6-morpholin-4-yl-3-pyridinyl)-1-propan-2-ylimidazo[1,5-a]pyridine-5-carboxylic acid?
The canonical SMILES for 7-(6-morpholin-4-yl-3-pyridinyl)-1-propan-2-ylimidazo[1,5-a]pyridine-5-carboxylic acid is CC(C)c1ncn2c(C(=O)O)cc(-c3ccc(N4CCOCC4)nc3)cc12.
What is the InChIKey of 7-(6-morpholin-4-yl-3-pyridinyl)-1-propan-2-ylimidazo[1,5-a]pyridine-5-carboxylic acid?
The InChIKey is GTXOJIVEEPUXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-13(2)19-16-9-15(10-17(20(25)26)24(16)12-22-19)14-3-4-18(21-11-14)23-5-7-27-8-6-23/h3-4,9-13H,5-8H2,1-2H3,(H,25,26).
What are the key properties of 7-(6-morpholin-4-yl-3-pyridinyl)-1-propan-2-ylimidazo[1,5-a]pyridine-5-carboxylic acid?
7-(6-morpholin-4-yl-3-pyridinyl)-1-propan-2-ylimidazo[1,5-a]pyridine-5-carboxylic acid has a molecular weight of 366.42 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-morpholin-4-yl-3-pyridinyl)-1-propan-2-ylimidazo[1,5-a]pyridine-5-carboxylic acid is sourced from PubChem (CID 121440160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).