pyridin-3-yl N-[3-bromo-5-(furan-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]carbamate

C16H10BrN5O3 — CID 10363582

IUPACpyridin-3-yl N-[3-bromo-5-(furan-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]carbamate
SMILESO=C(Nc1cc(-c2ccco2)nc2c(Br)cnn12)Oc1cccnc1
InChIInChI=1S/C16H10BrN5O3/c17-11-9-19-22-14(21-16(23)25-10-3-1-5-18-8-10)7-12(20-15(11)22)13-4-2-6-24-13/h1-9H,(H,21,23)
InChIKeyUHKOEUVYNSVDGL-UHFFFAOYSA-N
MW400.19 g/mol
LogP3.76
Rot. Bonds3

About pyridin-3-yl N-[3-bromo-5-(furan-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]carbamate

pyridin-3-yl N-[3-bromo-5-(furan-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]carbamate (PubChem CID 10363582) has the molecular formula C16H10BrN5O3 and a molecular weight of 400.19 g/mol. Its IUPAC name is pyridin-3-yl N-[3-bromo-5-(furan-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]carbamate.

Molecular Properties

Compound Namepyridin-3-yl N-[3-bromo-5-(furan-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]carbamate
PubChem CID10363582
Molecular FormulaC16H10BrN5O3
Molecular Weight400.19 g/mol
Exact Mass399.00
IUPAC Namepyridin-3-yl N-[3-bromo-5-(furan-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]carbamate
SMILESO=C(Nc1cc(-c2ccco2)nc2c(Br)cnn12)Oc1cccnc1
InChIInChI=1S/C16H10BrN5O3/c17-11-9-19-22-14(21-16(23)25-10-3-1-5-18-8-10)7-12(20-15(11)22)13-4-2-6-24-13/h1-9H,(H,21,23)
InChIKeyUHKOEUVYNSVDGL-UHFFFAOYSA-N
XLogP3.76
TPSA94.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.19
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of pyridin-3-yl N-[3-bromo-5-(furan-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]carbamate?
The IUPAC name of pyridin-3-yl N-[3-bromo-5-(furan-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]carbamate (CID 10363582) is pyridin-3-yl N-[3-bromo-5-(furan-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]carbamate.
What is the SMILES notation for pyridin-3-yl N-[3-bromo-5-(furan-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]carbamate?
The canonical SMILES for pyridin-3-yl N-[3-bromo-5-(furan-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]carbamate is O=C(Nc1cc(-c2ccco2)nc2c(Br)cnn12)Oc1cccnc1.
What is the InChIKey of pyridin-3-yl N-[3-bromo-5-(furan-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]carbamate?
The InChIKey is UHKOEUVYNSVDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrN5O3/c17-11-9-19-22-14(21-16(23)25-10-3-1-5-18-8-10)7-12(20-15(11)22)13-4-2-6-24-13/h1-9H,(H,21,23).
What are the key properties of pyridin-3-yl N-[3-bromo-5-(furan-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]carbamate?
pyridin-3-yl N-[3-bromo-5-(furan-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]carbamate has a molecular weight of 400.19 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-yl N-[3-bromo-5-(furan-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]carbamate is sourced from PubChem (CID 10363582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).