methyl 5-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate

C22H22N6O2 — CID 58173554

IUPACmethyl 5-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCC(c2cc(N)n3ncc(-c4cnc5ccccc5c4)c3n2)CN1
InChIInChI=1S/C22H22N6O2/c1-30-22(29)18-7-6-14(10-25-18)19-9-20(23)28-21(27-19)16(12-26-28)15-8-13-4-2-3-5-17(13)24-11-15/h2-5,8-9,11-12,14,18,25H,6-7,10,23H2,1H3
InChIKeyZUEIXGSPZRKBOE-UHFFFAOYSA-N
MW402.46 g/mol
LogP2.54
Rot. Bonds3

About methyl 5-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate

methyl 5-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate (PubChem CID 58173554) has the molecular formula C22H22N6O2 and a molecular weight of 402.46 g/mol. Its IUPAC name is methyl 5-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate
PubChem CID58173554
Molecular FormulaC22H22N6O2
Molecular Weight402.46 g/mol
Exact Mass402.18
IUPAC Namemethyl 5-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCC(c2cc(N)n3ncc(-c4cnc5ccccc5c4)c3n2)CN1
InChIInChI=1S/C22H22N6O2/c1-30-22(29)18-7-6-14(10-25-18)19-9-20(23)28-21(27-19)16(12-26-28)15-8-13-4-2-3-5-17(13)24-11-15/h2-5,8-9,11-12,14,18,25H,6-7,10,23H2,1H3
InChIKeyZUEIXGSPZRKBOE-UHFFFAOYSA-N
XLogP2.54
TPSA107.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze methyl 5-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

2-[3-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]acetic acid
CID 58173413
5-(7-ethyl-6-methyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid
CID 91139543
(NE)-N-[1-[(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethylidene]hydroxylamine
CID 24821564
3-(3,4-dimethoxyphenyl)-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 46944955
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
5-[4-(aminomethyl)cyclohexyl]-3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 70217247
methyl 3-(7-amino-5-cyclohexylpyrazolo[1,5-a]pyrimidin-3-yl)benzoate
CID 161126543
2-[4-(6-acetyl-7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid
CID 90926114
1-[7-amino-5-(1,1-dioxothian-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanol
CID 70217054
5-[(3S,6S)-6-(methoxymethyl)piperidin-3-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 24821630
(2S,5S)-5-[7-amino-3-(1-methyliminopropan-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-methylpiperidine-2-carboxamide
CID 90906439

Frequently Asked Questions

What is the IUPAC name of methyl 5-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate?
The IUPAC name of methyl 5-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate (CID 58173554) is methyl 5-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate.
What is the SMILES notation for methyl 5-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate?
The canonical SMILES for methyl 5-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate is COC(=O)C1CCC(c2cc(N)n3ncc(-c4cnc5ccccc5c4)c3n2)CN1.
What is the InChIKey of methyl 5-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate?
The InChIKey is ZUEIXGSPZRKBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2/c1-30-22(29)18-7-6-14(10-25-18)19-9-20(23)28-21(27-19)16(12-26-28)15-8-13-4-2-3-5-17(13)24-11-15/h2-5,8-9,11-12,14,18,25H,6-7,10,23H2,1H3.
What are the key properties of methyl 5-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate?
methyl 5-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate has a molecular weight of 402.46 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate is sourced from PubChem (CID 58173554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).