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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Related Compounds

4-Cyclohexyl-2-methylpyrazolo[4,3-b]indole-7-carboxylic acid
CID 157037881
2-(1-methyl-1H-pyrazol-3-yl)quinoline-4-carboxylic acid
CID 6485423
5-[4-[[(1R,3S)-3-amino-2,2,3-trimethylcyclopentyl]amino]-3-carbamoylpyrrolo[1,2-b]pyridazin-6-yl]pyridine-3-carboxylic acid
CID 91755106
2-[(3-methyl-1H-pyrazol-1-yl)methyl]quinoline-4-carboxylic acid
CID 19585911
2-(1-Methylpyrazol-3-yl)pyridine-4-carboxylic acid
CID 105455028
2-[[1-(Pyridazin-3-ylmethyl)indole-3-carbonyl]amino]benzoic acid
CID 172679724
US10501449, Example 102-I
CID 135390592
US9758517, Example 13
CID 136953109
5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-2-(1-methylpyrazol-3-yl)indolizine-7-carboxamide
CID 156907531
5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(6-methoxy-4-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-1-(2-methylpyrazol-3-yl)indolizine-7-carboxamide
CID 156907580
3-Ethyl-2-(hydroxy-diphenyl-methyl)-pyrazolo[1,5-a]pyridine-5-carboxylic acid (1-ethyl-1H-pyrazol-4-yl)-amide
CID 168678806
2-Methylpyrazolo[1,5-a]pyridine-5-carboxylic acid
CID 22388435

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).