ethyl N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]carbamate

C18H16FN7O2 — CID 41242224

IUPACethyl N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]carbamate
SMILESCCOC(=O)Nc1cc(C)nn1-c1ncnc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C18H16FN7O2/c1-3-28-18(27)23-15-8-11(2)24-26(15)17-14-9-22-25(16(14)20-10-21-17)13-6-4-12(19)5-7-13/h4-10H,3H2,1-2H3,(H,23,27)
InChIKeySZJIZYNQNQUZAR-UHFFFAOYSA-N
MW381.37 g/mol
LogP3.02
Rot. Bonds4

About ethyl N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]carbamate

ethyl N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]carbamate (PubChem CID 41242224) has the molecular formula C18H16FN7O2 and a molecular weight of 381.37 g/mol. Its IUPAC name is ethyl N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]carbamate
PubChem CID41242224
Molecular FormulaC18H16FN7O2
Molecular Weight381.37 g/mol
Exact Mass381.13
IUPAC Nameethyl N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]carbamate
SMILESCCOC(=O)Nc1cc(C)nn1-c1ncnc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C18H16FN7O2/c1-3-28-18(27)23-15-8-11(2)24-26(15)17-14-9-22-25(16(14)20-10-21-17)13-6-4-12(19)5-7-13/h4-10H,3H2,1-2H3,(H,23,27)
InChIKeySZJIZYNQNQUZAR-UHFFFAOYSA-N
XLogP3.02
TPSA99.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.37
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]carbamate?
The IUPAC name of ethyl N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]carbamate (CID 41242224) is ethyl N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]carbamate.
What is the SMILES notation for ethyl N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]carbamate?
The canonical SMILES for ethyl N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]carbamate is CCOC(=O)Nc1cc(C)nn1-c1ncnc2c1cnn2-c1ccc(F)cc1.
What is the InChIKey of ethyl N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]carbamate?
The InChIKey is SZJIZYNQNQUZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN7O2/c1-3-28-18(27)23-15-8-11(2)24-26(15)17-14-9-22-25(16(14)20-10-21-17)13-6-4-12(19)5-7-13/h4-10H,3H2,1-2H3,(H,23,27).
What are the key properties of ethyl N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]carbamate?
ethyl N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]carbamate has a molecular weight of 381.37 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]carbamate is sourced from PubChem (CID 41242224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).