1-[6-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)amino]-3,4-dihydro-2H-quinolin-1-yl]ethanone

C19H21N5O — CID 170504010

IUPAC1-[6-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)amino]-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCC(=O)N1CCCc2cc(Nc3cc4nc(C)cc(C)n4n3)ccc21
InChIInChI=1S/C19H21N5O/c1-12-9-13(2)24-19(20-12)11-18(22-24)21-16-6-7-17-15(10-16)5-4-8-23(17)14(3)25/h6-7,9-11H,4-5,8H2,1-3H3,(H,21,22)
InChIKeyJLIOXGYFPYSQGC-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.39
Rot. Bonds2

About 1-[6-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)amino]-3,4-dihydro-2H-quinolin-1-yl]ethanone

1-[6-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)amino]-3,4-dihydro-2H-quinolin-1-yl]ethanone (PubChem CID 170504010) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 1-[6-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)amino]-3,4-dihydro-2H-quinolin-1-yl]ethanone.

Molecular Properties

Compound Name1-[6-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)amino]-3,4-dihydro-2H-quinolin-1-yl]ethanone
PubChem CID170504010
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name1-[6-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)amino]-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCC(=O)N1CCCc2cc(Nc3cc4nc(C)cc(C)n4n3)ccc21
InChIInChI=1S/C19H21N5O/c1-12-9-13(2)24-19(20-12)11-18(22-24)21-16-6-7-17-15(10-16)5-4-8-23(17)14(3)25/h6-7,9-11H,4-5,8H2,1-3H3,(H,21,22)
InChIKeyJLIOXGYFPYSQGC-UHFFFAOYSA-N
XLogP3.39
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[6-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)amino]-3,4-dihydro-2H-quinolin-1-yl]ethanone with MolForge

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Related Compounds

1-[5-[[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2,3-dihydroindol-1-yl]ethanone
CID 133426190
1-[6-(ethylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 83967651
1-[5-(5-chloro-2-methylanilino)-2,3-dihydroindol-1-yl]ethanone
CID 110452814
N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-2-amino-2-methylpropanamide;hydrochloride
CID 119312863
1-[5-(4,5-dihydro-1H-imidazol-2-ylamino)-2,3-dihydroindol-1-yl]ethanone
CID 15840805
6-[(1-acetyl-2,3-dihydroindol-5-yl)amino]pyridine-3-carbonitrile
CID 18156172
N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-2-chloro-2-fluoroacetamide
CID 166427902
1-[6-(2-fluoropropylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 71698231
1-[6-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 21254818
sodium 1-acetyl-3,4-dihydro-2H-quinoline-6-sulfonate
CID 112704982
N-(1-acetyl-2,3-dihydroindol-5-yl)-4-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanamide
CID 46971413
N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-3,5-dimethoxybenzamide
CID 7656241

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)amino]-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The IUPAC name of 1-[6-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)amino]-3,4-dihydro-2H-quinolin-1-yl]ethanone (CID 170504010) is 1-[6-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)amino]-3,4-dihydro-2H-quinolin-1-yl]ethanone.
What is the SMILES notation for 1-[6-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)amino]-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The canonical SMILES for 1-[6-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)amino]-3,4-dihydro-2H-quinolin-1-yl]ethanone is CC(=O)N1CCCc2cc(Nc3cc4nc(C)cc(C)n4n3)ccc21.
What is the InChIKey of 1-[6-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)amino]-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The InChIKey is JLIOXGYFPYSQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-12-9-13(2)24-19(20-12)11-18(22-24)21-16-6-7-17-15(10-16)5-4-8-23(17)14(3)25/h6-7,9-11H,4-5,8H2,1-3H3,(H,21,22).
What are the key properties of 1-[6-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)amino]-3,4-dihydro-2H-quinolin-1-yl]ethanone?
1-[6-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)amino]-3,4-dihydro-2H-quinolin-1-yl]ethanone has a molecular weight of 335.41 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)amino]-3,4-dihydro-2H-quinolin-1-yl]ethanone is sourced from PubChem (CID 170504010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).