5-(7-ethyl-6-methyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid

C24H25N5O2 — CID 91139543

IUPAC5-(7-ethyl-6-methyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid
SMILESCCc1c(C)c(C2CCC(C(=O)O)NC2)nc2c(-c3cnc4ccccc4c3)cnn12
InChIInChI=1S/C24H25N5O2/c1-3-21-14(2)22(16-8-9-20(24(30)31)26-11-16)28-23-18(13-27-29(21)23)17-10-15-6-4-5-7-19(15)25-12-17/h4-7,10,12-13,16,20,26H,3,8-9,11H2,1-2H3,(H,30,31)
InChIKeyMBIVYFGCFPXDIB-UHFFFAOYSA-N
MW415.50 g/mol
LogP3.74
Rot. Bonds4

About 5-(7-ethyl-6-methyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid

5-(7-ethyl-6-methyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid (PubChem CID 91139543) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 5-(7-ethyl-6-methyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name5-(7-ethyl-6-methyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid
PubChem CID91139543
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name5-(7-ethyl-6-methyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid
SMILESCCc1c(C)c(C2CCC(C(=O)O)NC2)nc2c(-c3cnc4ccccc4c3)cnn12
InChIInChI=1S/C24H25N5O2/c1-3-21-14(2)22(16-8-9-20(24(30)31)26-11-16)28-23-18(13-27-29(21)23)17-10-15-6-4-5-7-19(15)25-12-17/h4-7,10,12-13,16,20,26H,3,8-9,11H2,1-2H3,(H,30,31)
InChIKeyMBIVYFGCFPXDIB-UHFFFAOYSA-N
XLogP3.74
TPSA92.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-(7-ethyl-6-methyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

methyl 5-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate
CID 58173554
1-[3-(6,7-dimethyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-1-yl]ethanone
CID 91528092
2-[4-(6-acetyl-7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid
CID 90926114
2-[3-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]acetic acid
CID 58173413
1-[7-amino-5-(1,1-dioxothian-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanol
CID 70217054
1-(7-ethenyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-4-carboxylic acid
CID 91578889
6-bromo-5-piperidin-3-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 67494420
1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,4-diazepan-5-ol
CID 90693094
5-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1,2-dicarboxylic acid
CID 91038686
3-quinolin-3-yl-5-(thian-4-yl)pyrazolo[1,5-a]pyrimidine-6,7-diamine
CID 70214137
4-(7-ethyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,4-thiazinane 1,1-dioxide
CID 91563864
(2R)-1-[4-(6-acetyl-7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2-hydroxypropan-1-one
CID 70215542

Frequently Asked Questions

What is the IUPAC name of 5-(7-ethyl-6-methyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid?
The IUPAC name of 5-(7-ethyl-6-methyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid (CID 91139543) is 5-(7-ethyl-6-methyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid.
What is the SMILES notation for 5-(7-ethyl-6-methyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid?
The canonical SMILES for 5-(7-ethyl-6-methyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid is CCc1c(C)c(C2CCC(C(=O)O)NC2)nc2c(-c3cnc4ccccc4c3)cnn12.
What is the InChIKey of 5-(7-ethyl-6-methyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid?
The InChIKey is MBIVYFGCFPXDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-3-21-14(2)22(16-8-9-20(24(30)31)26-11-16)28-23-18(13-27-29(21)23)17-10-15-6-4-5-7-19(15)25-12-17/h4-7,10,12-13,16,20,26H,3,8-9,11H2,1-2H3,(H,30,31).
What are the key properties of 5-(7-ethyl-6-methyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid?
5-(7-ethyl-6-methyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid has a molecular weight of 415.50 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-ethyl-6-methyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid is sourced from PubChem (CID 91139543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).