1-[7-(methylamino)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbaldehyde

C21H20N6O — CID 91516920

IUPAC1-[7-(methylamino)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbaldehyde
SMILESCNc1cc(N2CCC(C=O)C2)nc2c(-c3cnc4ccccc4c3)cnn12
InChIInChI=1S/C21H20N6O/c1-22-19-9-20(26-7-6-14(12-26)13-28)25-21-17(11-24-27(19)21)16-8-15-4-2-3-5-18(15)23-10-16/h2-5,8-11,13-14,22H,6-7,12H2,1H3
InChIKeyCAPLZHLLGBRIRM-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.01
Rot. Bonds4

About 1-[7-(methylamino)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbaldehyde

1-[7-(methylamino)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbaldehyde (PubChem CID 91516920) has the molecular formula C21H20N6O and a molecular weight of 372.43 g/mol. Its IUPAC name is 1-[7-(methylamino)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbaldehyde.

Molecular Properties

Compound Name1-[7-(methylamino)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbaldehyde
PubChem CID91516920
Molecular FormulaC21H20N6O
Molecular Weight372.43 g/mol
Exact Mass372.17
IUPAC Name1-[7-(methylamino)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbaldehyde
SMILESCNc1cc(N2CCC(C=O)C2)nc2c(-c3cnc4ccccc4c3)cnn12
InChIInChI=1S/C21H20N6O/c1-22-19-9-20(26-7-6-14(12-26)13-28)25-21-17(11-24-27(19)21)16-8-15-4-2-3-5-18(15)23-10-16/h2-5,8-11,13-14,22H,6-7,12H2,1H3
InChIKeyCAPLZHLLGBRIRM-UHFFFAOYSA-N
XLogP3.01
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-(7-ethenyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-4-carboxylic acid
CID 91578889
4-(7-methyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)morpholine
CID 91197885
1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,4-diazepan-5-ol
CID 90693094
4-(7-ethyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,4-thiazinane 1,1-dioxide
CID 91563864
N-methyl-1H-pyrrol-3-amine;1-quinolin-3-ylpiperidine-4-carbaldehyde
CID 143235435
1-[3-(6,7-dimethyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-1-yl]ethanone
CID 91528092
(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
2-[4-(6-acetyl-7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid
CID 90926114
5-[2-(1-cyclopropylsulfonylpiperidin-4-yl)ethyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 46945747
1-[7-amino-5-(1,1-dioxothian-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanol
CID 70217054
6-bromo-5-(1-methylsulfonylpiperidin-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 58173335
N-methyl-1-(6-quinolin-3-yl-2-pyridinyl)piperidin-4-amine
CID 175494124

Frequently Asked Questions

What is the IUPAC name of 1-[7-(methylamino)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbaldehyde?
The IUPAC name of 1-[7-(methylamino)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbaldehyde (CID 91516920) is 1-[7-(methylamino)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbaldehyde.
What is the SMILES notation for 1-[7-(methylamino)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbaldehyde?
The canonical SMILES for 1-[7-(methylamino)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbaldehyde is CNc1cc(N2CCC(C=O)C2)nc2c(-c3cnc4ccccc4c3)cnn12.
What is the InChIKey of 1-[7-(methylamino)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbaldehyde?
The InChIKey is CAPLZHLLGBRIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O/c1-22-19-9-20(26-7-6-14(12-26)13-28)25-21-17(11-24-27(19)21)16-8-15-4-2-3-5-18(15)23-10-16/h2-5,8-11,13-14,22H,6-7,12H2,1H3.
What are the key properties of 1-[7-(methylamino)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbaldehyde?
1-[7-(methylamino)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbaldehyde has a molecular weight of 372.43 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(methylamino)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbaldehyde is sourced from PubChem (CID 91516920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).