5-[4-[(5-methyl-6-pyrrolidin-2-yl-3-pyridinyl)methyl]piperazin-1-yl]imidazo[1,2-a]pyridine-2-carboxylic acid

C23H28N6O2 — CID 146215063

IUPAC5-[4-[(5-methyl-6-pyrrolidin-2-yl-3-pyridinyl)methyl]piperazin-1-yl]imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESCc1cc(CN2CCN(c3cccc4nc(C(=O)O)cn34)CC2)cnc1C1CCCN1
InChIInChI=1S/C23H28N6O2/c1-16-12-17(13-25-22(16)18-4-3-7-24-18)14-27-8-10-28(11-9-27)21-6-2-5-20-26-19(23(30)31)15-29(20)21/h2,5-6,12-13,15,18,24H,3-4,7-11,14H2,1H3,(H,30,31)
InChIKeyFNDDDWAUPDHWGV-UHFFFAOYSA-N
MW420.52 g/mol
LogP2.48
Rot. Bonds5

About 5-[4-[(5-methyl-6-pyrrolidin-2-yl-3-pyridinyl)methyl]piperazin-1-yl]imidazo[1,2-a]pyridine-2-carboxylic acid

5-[4-[(5-methyl-6-pyrrolidin-2-yl-3-pyridinyl)methyl]piperazin-1-yl]imidazo[1,2-a]pyridine-2-carboxylic acid (PubChem CID 146215063) has the molecular formula C23H28N6O2 and a molecular weight of 420.52 g/mol. Its IUPAC name is 5-[4-[(5-methyl-6-pyrrolidin-2-yl-3-pyridinyl)methyl]piperazin-1-yl]imidazo[1,2-a]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[4-[(5-methyl-6-pyrrolidin-2-yl-3-pyridinyl)methyl]piperazin-1-yl]imidazo[1,2-a]pyridine-2-carboxylic acid
PubChem CID146215063
Molecular FormulaC23H28N6O2
Molecular Weight420.52 g/mol
Exact Mass420.23
IUPAC Name5-[4-[(5-methyl-6-pyrrolidin-2-yl-3-pyridinyl)methyl]piperazin-1-yl]imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESCc1cc(CN2CCN(c3cccc4nc(C(=O)O)cn34)CC2)cnc1C1CCCN1
InChIInChI=1S/C23H28N6O2/c1-16-12-17(13-25-22(16)18-4-3-7-24-18)14-27-8-10-28(11-9-27)21-6-2-5-20-26-19(23(30)31)15-29(20)21/h2,5-6,12-13,15,18,24H,3-4,7-11,14H2,1H3,(H,30,31)
InChIKeyFNDDDWAUPDHWGV-UHFFFAOYSA-N
XLogP2.48
TPSA86.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(5-methyl-6-pyrrolidin-2-yl-3-pyridinyl)methyl]piperazin-1-yl]imidazo[1,2-a]pyridine-2-carboxylic acid?
The IUPAC name of 5-[4-[(5-methyl-6-pyrrolidin-2-yl-3-pyridinyl)methyl]piperazin-1-yl]imidazo[1,2-a]pyridine-2-carboxylic acid (CID 146215063) is 5-[4-[(5-methyl-6-pyrrolidin-2-yl-3-pyridinyl)methyl]piperazin-1-yl]imidazo[1,2-a]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[4-[(5-methyl-6-pyrrolidin-2-yl-3-pyridinyl)methyl]piperazin-1-yl]imidazo[1,2-a]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[4-[(5-methyl-6-pyrrolidin-2-yl-3-pyridinyl)methyl]piperazin-1-yl]imidazo[1,2-a]pyridine-2-carboxylic acid is Cc1cc(CN2CCN(c3cccc4nc(C(=O)O)cn34)CC2)cnc1C1CCCN1.
What is the InChIKey of 5-[4-[(5-methyl-6-pyrrolidin-2-yl-3-pyridinyl)methyl]piperazin-1-yl]imidazo[1,2-a]pyridine-2-carboxylic acid?
The InChIKey is FNDDDWAUPDHWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O2/c1-16-12-17(13-25-22(16)18-4-3-7-24-18)14-27-8-10-28(11-9-27)21-6-2-5-20-26-19(23(30)31)15-29(20)21/h2,5-6,12-13,15,18,24H,3-4,7-11,14H2,1H3,(H,30,31).
What are the key properties of 5-[4-[(5-methyl-6-pyrrolidin-2-yl-3-pyridinyl)methyl]piperazin-1-yl]imidazo[1,2-a]pyridine-2-carboxylic acid?
5-[4-[(5-methyl-6-pyrrolidin-2-yl-3-pyridinyl)methyl]piperazin-1-yl]imidazo[1,2-a]pyridine-2-carboxylic acid has a molecular weight of 420.52 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(5-methyl-6-pyrrolidin-2-yl-3-pyridinyl)methyl]piperazin-1-yl]imidazo[1,2-a]pyridine-2-carboxylic acid is sourced from PubChem (CID 146215063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).