ethyl 5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pyrazolo[1,5-a]quinazoline-3-carboxylate

C20H24N4O2 — CID 6977070

IUPACethyl 5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pyrazolo[1,5-a]quinazoline-3-carboxylate
SMILESCCOC(=O)c1cnn2c1nc(N1C[C@H](C)C[C@@H](C)C1)c1ccccc12
InChIInChI=1S/C20H24N4O2/c1-4-26-20(25)16-10-21-24-17-8-6-5-7-15(17)18(22-19(16)24)23-11-13(2)9-14(3)12-23/h5-8,10,13-14H,4,9,11-12H2,1-3H3/t13-,14-/m1/s1
InChIKeyFQXULOQCKPVZHL-ZIAGYGMSSA-N
MW352.44 g/mol
LogP3.54
Rot. Bonds3

About ethyl 5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pyrazolo[1,5-a]quinazoline-3-carboxylate

ethyl 5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pyrazolo[1,5-a]quinazoline-3-carboxylate (PubChem CID 6977070) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is ethyl 5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pyrazolo[1,5-a]quinazoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pyrazolo[1,5-a]quinazoline-3-carboxylate
PubChem CID6977070
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Nameethyl 5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pyrazolo[1,5-a]quinazoline-3-carboxylate
SMILESCCOC(=O)c1cnn2c1nc(N1C[C@H](C)C[C@@H](C)C1)c1ccccc12
InChIInChI=1S/C20H24N4O2/c1-4-26-20(25)16-10-21-24-17-8-6-5-7-15(17)18(22-19(16)24)23-11-13(2)9-14(3)12-23/h5-8,10,13-14H,4,9,11-12H2,1-3H3/t13-,14-/m1/s1
InChIKeyFQXULOQCKPVZHL-ZIAGYGMSSA-N
XLogP3.54
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pyrazolo[1,5-a]quinazoline-3-carboxylate with MolForge

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Related Compounds

ethyl 4-(3-cyanopyrazolo[1,5-a]quinazolin-5-yl)piperazine-1-carboxylate
CID 134098616
ethyl 7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 656076
ethyl 5-morpholin-4-yltriazolo[1,5-a]quinazoline-3-carboxylate
CID 2816171
ethyl 5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 903864
ethyl 5-(3-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 131986746
ethyl 2-amino-4-(3,5-dimethylpiperidin-1-yl)-1,3-thiazole-5-carboxylate
CID 82022000
ethyl 10-oxo-11-(4-phenoxyphenyl)-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaene-5-carboxylate
CID 66505111
ethyl 6-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 113225230
ethyl 5-morpholin-4-ylimidazo[1,5-a]quinazoline-3-carboxylate
CID 18953495
ethyl 7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 4777079
ethyl 5-(3-bromophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 131986812
ethyl 5-(3-chlorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 131986808

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pyrazolo[1,5-a]quinazoline-3-carboxylate?
The IUPAC name of ethyl 5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pyrazolo[1,5-a]quinazoline-3-carboxylate (CID 6977070) is ethyl 5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pyrazolo[1,5-a]quinazoline-3-carboxylate.
What is the SMILES notation for ethyl 5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pyrazolo[1,5-a]quinazoline-3-carboxylate?
The canonical SMILES for ethyl 5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pyrazolo[1,5-a]quinazoline-3-carboxylate is CCOC(=O)c1cnn2c1nc(N1C[C@H](C)C[C@@H](C)C1)c1ccccc12.
What is the InChIKey of ethyl 5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pyrazolo[1,5-a]quinazoline-3-carboxylate?
The InChIKey is FQXULOQCKPVZHL-ZIAGYGMSSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-4-26-20(25)16-10-21-24-17-8-6-5-7-15(17)18(22-19(16)24)23-11-13(2)9-14(3)12-23/h5-8,10,13-14H,4,9,11-12H2,1-3H3/t13-,14-/m1/s1.
What are the key properties of ethyl 5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pyrazolo[1,5-a]quinazoline-3-carboxylate?
ethyl 5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pyrazolo[1,5-a]quinazoline-3-carboxylate has a molecular weight of 352.44 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pyrazolo[1,5-a]quinazoline-3-carboxylate is sourced from PubChem (CID 6977070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).