6-methyl-2-(2-methylpyrazol-3-yl)-5-(1-piperazin-1-ylethyl)indolizine-7-carboxylic acid

C20H25N5O2 — CID 139385653

IUPAC6-methyl-2-(2-methylpyrazol-3-yl)-5-(1-piperazin-1-ylethyl)indolizine-7-carboxylic acid
SMILESCc1c(C(=O)O)cc2cc(-c3ccnn3C)cn2c1C(C)N1CCNCC1
InChIInChI=1S/C20H25N5O2/c1-13-17(20(26)27)11-16-10-15(18-4-5-22-23(18)3)12-25(16)19(13)14(2)24-8-6-21-7-9-24/h4-5,10-12,14,21H,6-9H2,1-3H3,(H,26,27)
InChIKeyFDEBOTZJCMLCEA-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.31
Rot. Bonds4

About 6-methyl-2-(2-methylpyrazol-3-yl)-5-(1-piperazin-1-ylethyl)indolizine-7-carboxylic acid

6-methyl-2-(2-methylpyrazol-3-yl)-5-(1-piperazin-1-ylethyl)indolizine-7-carboxylic acid (PubChem CID 139385653) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 6-methyl-2-(2-methylpyrazol-3-yl)-5-(1-piperazin-1-ylethyl)indolizine-7-carboxylic acid.

Molecular Properties

Compound Name6-methyl-2-(2-methylpyrazol-3-yl)-5-(1-piperazin-1-ylethyl)indolizine-7-carboxylic acid
PubChem CID139385653
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name6-methyl-2-(2-methylpyrazol-3-yl)-5-(1-piperazin-1-ylethyl)indolizine-7-carboxylic acid
SMILESCc1c(C(=O)O)cc2cc(-c3ccnn3C)cn2c1C(C)N1CCNCC1
InChIInChI=1S/C20H25N5O2/c1-13-17(20(26)27)11-16-10-15(18-4-5-22-23(18)3)12-25(16)19(13)14(2)24-8-6-21-7-9-24/h4-5,10-12,14,21H,6-9H2,1-3H3,(H,26,27)
InChIKeyFDEBOTZJCMLCEA-UHFFFAOYSA-N
XLogP2.31
TPSA74.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(2-methylpyrazol-3-yl)-5-(1-piperazin-1-ylethyl)indolizine-7-carboxylic acid?
The IUPAC name of 6-methyl-2-(2-methylpyrazol-3-yl)-5-(1-piperazin-1-ylethyl)indolizine-7-carboxylic acid (CID 139385653) is 6-methyl-2-(2-methylpyrazol-3-yl)-5-(1-piperazin-1-ylethyl)indolizine-7-carboxylic acid.
What is the SMILES notation for 6-methyl-2-(2-methylpyrazol-3-yl)-5-(1-piperazin-1-ylethyl)indolizine-7-carboxylic acid?
The canonical SMILES for 6-methyl-2-(2-methylpyrazol-3-yl)-5-(1-piperazin-1-ylethyl)indolizine-7-carboxylic acid is Cc1c(C(=O)O)cc2cc(-c3ccnn3C)cn2c1C(C)N1CCNCC1.
What is the InChIKey of 6-methyl-2-(2-methylpyrazol-3-yl)-5-(1-piperazin-1-ylethyl)indolizine-7-carboxylic acid?
The InChIKey is FDEBOTZJCMLCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-13-17(20(26)27)11-16-10-15(18-4-5-22-23(18)3)12-25(16)19(13)14(2)24-8-6-21-7-9-24/h4-5,10-12,14,21H,6-9H2,1-3H3,(H,26,27).
What are the key properties of 6-methyl-2-(2-methylpyrazol-3-yl)-5-(1-piperazin-1-ylethyl)indolizine-7-carboxylic acid?
6-methyl-2-(2-methylpyrazol-3-yl)-5-(1-piperazin-1-ylethyl)indolizine-7-carboxylic acid has a molecular weight of 367.45 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(2-methylpyrazol-3-yl)-5-(1-piperazin-1-ylethyl)indolizine-7-carboxylic acid is sourced from PubChem (CID 139385653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).