N-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfinamide

C16H10F3N5O2S — CID 142869963

IUPACN-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfinamide
SMILESO=S(Nc1cc(-c2ccco2)nc2c(C(F)(F)F)cnn12)c1cccnc1
InChIInChI=1S/C16H10F3N5O2S/c17-16(18,19)11-9-21-24-14(23-27(25)10-3-1-5-20-8-10)7-12(22-15(11)24)13-4-2-6-26-13/h1-9,23H
InChIKeyPVAMGGYUSJKICQ-UHFFFAOYSA-N
MW393.35 g/mol
LogP3.54
Rot. Bonds4

About N-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfinamide

N-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfinamide (PubChem CID 142869963) has the molecular formula C16H10F3N5O2S and a molecular weight of 393.35 g/mol. Its IUPAC name is N-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfinamide.

Molecular Properties

Compound NameN-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfinamide
PubChem CID142869963
Molecular FormulaC16H10F3N5O2S
Molecular Weight393.35 g/mol
Exact Mass393.05
IUPAC NameN-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfinamide
SMILESO=S(Nc1cc(-c2ccco2)nc2c(C(F)(F)F)cnn12)c1cccnc1
InChIInChI=1S/C16H10F3N5O2S/c17-16(18,19)11-9-21-24-14(23-27(25)10-3-1-5-20-8-10)7-12(22-15(11)24)13-4-2-6-26-13/h1-9,23H
InChIKeyPVAMGGYUSJKICQ-UHFFFAOYSA-N
XLogP3.54
TPSA85.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.35
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfinamide?
The IUPAC name of N-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfinamide (CID 142869963) is N-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfinamide.
What is the SMILES notation for N-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfinamide?
The canonical SMILES for N-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfinamide is O=S(Nc1cc(-c2ccco2)nc2c(C(F)(F)F)cnn12)c1cccnc1.
What is the InChIKey of N-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfinamide?
The InChIKey is PVAMGGYUSJKICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N5O2S/c17-16(18,19)11-9-21-24-14(23-27(25)10-3-1-5-20-8-10)7-12(22-15(11)24)13-4-2-6-26-13/h1-9,23H.
What are the key properties of N-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfinamide?
N-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfinamide has a molecular weight of 393.35 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfinamide is sourced from PubChem (CID 142869963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).