ethyl 4-(3-cyanopyrazolo[1,5-a]quinazolin-5-yl)piperazine-1-carboxylate

C18H18N6O2 — CID 134098616

IUPACethyl 4-(3-cyanopyrazolo[1,5-a]quinazolin-5-yl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2nc3c(C#N)cnn3c3ccccc23)CC1
InChIInChI=1S/C18H18N6O2/c1-2-26-18(25)23-9-7-22(8-10-23)17-14-5-3-4-6-15(14)24-16(21-17)13(11-19)12-20-24/h3-6,12H,2,7-10H2,1H3
InChIKeyXZKUXKFPQPDUCG-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.03
Rot. Bonds2

About ethyl 4-(3-cyanopyrazolo[1,5-a]quinazolin-5-yl)piperazine-1-carboxylate

ethyl 4-(3-cyanopyrazolo[1,5-a]quinazolin-5-yl)piperazine-1-carboxylate (PubChem CID 134098616) has the molecular formula C18H18N6O2 and a molecular weight of 350.38 g/mol. Its IUPAC name is ethyl 4-(3-cyanopyrazolo[1,5-a]quinazolin-5-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(3-cyanopyrazolo[1,5-a]quinazolin-5-yl)piperazine-1-carboxylate
PubChem CID134098616
Molecular FormulaC18H18N6O2
Molecular Weight350.38 g/mol
Exact Mass350.15
IUPAC Nameethyl 4-(3-cyanopyrazolo[1,5-a]quinazolin-5-yl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2nc3c(C#N)cnn3c3ccccc23)CC1
InChIInChI=1S/C18H18N6O2/c1-2-26-18(25)23-9-7-22(8-10-23)17-14-5-3-4-6-15(14)24-16(21-17)13(11-19)12-20-24/h3-6,12H,2,7-10H2,1H3
InChIKeyXZKUXKFPQPDUCG-UHFFFAOYSA-N
XLogP2.03
TPSA86.76 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pyrazolo[1,5-a]quinazoline-3-carboxylate
CID 6977070
ethyl 4-(2-cyano-4-methylphenyl)piperazine-1-carboxylate
CID 107928001
ethyl 4-[4-(2-cyanoanilino)pyrimidin-2-yl]piperazine-1-carboxylate
CID 112898062
ethyl 4-(2-pyridin-3-ylquinazolin-4-yl)piperazine-1-carboxylate
CID 4880874
ethyl 4-[6-methyl-1-(2-phenylethyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazine-1-carboxylate
CID 993519
ethyl 4-(6-methyl-2-phenylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate
CID 91965227
ethyl 5-morpholin-4-yltriazolo[1,5-a]quinazoline-3-carboxylate
CID 2816171
2-naphthalen-2-ylethyl 4-(5-cyano-3-ethoxycarbonyl-6-methyl-2-pyridinyl)piperazine-1-carboxylate
CID 6733838
ethyl 4-(3-bromo-5-cyano-2-pyridinyl)piperazine-1-carboxylate
CID 84611937
ethyl 1-(2-methylpyrazolo[1,5-a]quinazolin-5-yl)piperidine-4-carboxylate
CID 8852975
tert-butyl 4-(3-cyano-6-ethyl-2-pyridinyl)piperazine-1-carboxylate
CID 167443704
ethyl 4-(6-amino-3-nitro-2-pyridinyl)piperazine-1-carboxylate
CID 12919353

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3-cyanopyrazolo[1,5-a]quinazolin-5-yl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(3-cyanopyrazolo[1,5-a]quinazolin-5-yl)piperazine-1-carboxylate (CID 134098616) is ethyl 4-(3-cyanopyrazolo[1,5-a]quinazolin-5-yl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(3-cyanopyrazolo[1,5-a]quinazolin-5-yl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(3-cyanopyrazolo[1,5-a]quinazolin-5-yl)piperazine-1-carboxylate is CCOC(=O)N1CCN(c2nc3c(C#N)cnn3c3ccccc23)CC1.
What is the InChIKey of ethyl 4-(3-cyanopyrazolo[1,5-a]quinazolin-5-yl)piperazine-1-carboxylate?
The InChIKey is XZKUXKFPQPDUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2/c1-2-26-18(25)23-9-7-22(8-10-23)17-14-5-3-4-6-15(14)24-16(21-17)13(11-19)12-20-24/h3-6,12H,2,7-10H2,1H3.
What are the key properties of ethyl 4-(3-cyanopyrazolo[1,5-a]quinazolin-5-yl)piperazine-1-carboxylate?
ethyl 4-(3-cyanopyrazolo[1,5-a]quinazolin-5-yl)piperazine-1-carboxylate has a molecular weight of 350.38 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3-cyanopyrazolo[1,5-a]quinazolin-5-yl)piperazine-1-carboxylate is sourced from PubChem (CID 134098616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).