2-[3-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]acetic acid

C22H22N6O2 — CID 58173413

IUPAC2-[3-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]acetic acid
SMILESNc1cc(C2CCCN(CC(=O)O)C2)nc2c(-c3cnc4ccccc4c3)cnn12
InChIInChI=1S/C22H22N6O2/c23-20-9-19(15-5-3-7-27(12-15)13-21(29)30)26-22-17(11-25-28(20)22)16-8-14-4-1-2-6-18(14)24-10-16/h1-2,4,6,8-11,15H,3,5,7,12-13,23H2,(H,29,30)
InChIKeyNNGMGQREBATIFY-UHFFFAOYSA-N
MW402.46 g/mol
LogP2.79
Rot. Bonds4

About 2-[3-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]acetic acid

2-[3-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]acetic acid (PubChem CID 58173413) has the molecular formula C22H22N6O2 and a molecular weight of 402.46 g/mol. Its IUPAC name is 2-[3-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]acetic acid
PubChem CID58173413
Molecular FormulaC22H22N6O2
Molecular Weight402.46 g/mol
Exact Mass402.18
IUPAC Name2-[3-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]acetic acid
SMILESNc1cc(C2CCCN(CC(=O)O)C2)nc2c(-c3cnc4ccccc4c3)cnn12
InChIInChI=1S/C22H22N6O2/c23-20-9-19(15-5-3-7-27(12-15)13-21(29)30)26-22-17(11-25-28(20)22)16-8-14-4-1-2-6-18(14)24-10-16/h1-2,4,6,8-11,15H,3,5,7,12-13,23H2,(H,29,30)
InChIKeyNNGMGQREBATIFY-UHFFFAOYSA-N
XLogP2.79
TPSA109.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[3-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]acetic acid with MolForge

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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
7-cyclohexyl-6-quinolin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 15958130
5-[2-(1-cyclopropylsulfonylpiperidin-4-yl)ethyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 46945747
1-(7-ethenyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-4-carboxylic acid
CID 91578889
5-[7-amino-5-(1-methylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carbonitrile
CID 71199011
(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
1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,4-diazepan-5-ol
CID 90693094
1-[7-amino-5-(1,1-dioxothian-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanol
CID 70217054
3-quinolin-3-yl-5-(thian-4-yl)pyrazolo[1,5-a]pyrimidine-6,7-diamine
CID 70214137
6-bromo-5-piperidin-3-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 67494420

Frequently Asked Questions

What is the IUPAC name of 2-[3-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]acetic acid?
The IUPAC name of 2-[3-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]acetic acid (CID 58173413) is 2-[3-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[3-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]acetic acid?
The canonical SMILES for 2-[3-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]acetic acid is Nc1cc(C2CCCN(CC(=O)O)C2)nc2c(-c3cnc4ccccc4c3)cnn12.
What is the InChIKey of 2-[3-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]acetic acid?
The InChIKey is NNGMGQREBATIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2/c23-20-9-19(15-5-3-7-27(12-15)13-21(29)30)26-22-17(11-25-28(20)22)16-8-14-4-1-2-6-18(14)24-10-16/h1-2,4,6,8-11,15H,3,5,7,12-13,23H2,(H,29,30).
What are the key properties of 2-[3-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]acetic acid?
2-[3-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]acetic acid has a molecular weight of 402.46 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]acetic acid is sourced from PubChem (CID 58173413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).