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

C18H16F3N5O2S — CID 142869962

IUPACethane;N-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfinamide
SMILESCC.O=S(Nc1cc(-c2ccco2)nc2c(C(F)(F)F)cnn12)c1cccnc1
InChIInChI=1S/C16H10F3N5O2S.C2H6/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;1-2/h1-9,23H;1-2H3
InChIKeySGJQPEWYFSJKEG-UHFFFAOYSA-N
MW423.42 g/mol
LogP4.56
Rot. Bonds4

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

ethane;N-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfinamide (PubChem CID 142869962) has the molecular formula C18H16F3N5O2S and a molecular weight of 423.42 g/mol. Its IUPAC name is ethane;N-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfinamide.

Molecular Properties

Compound Nameethane;N-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfinamide
PubChem CID142869962
Molecular FormulaC18H16F3N5O2S
Molecular Weight423.42 g/mol
Exact Mass423.10
IUPAC Nameethane;N-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfinamide
SMILESCC.O=S(Nc1cc(-c2ccco2)nc2c(C(F)(F)F)cnn12)c1cccnc1
InChIInChI=1S/C16H10F3N5O2S.C2H6/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;1-2/h1-9,23H;1-2H3
InChIKeySGJQPEWYFSJKEG-UHFFFAOYSA-N
XLogP4.56
TPSA85.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.42
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-furyl)-N-methyl-7-(trifluoromethyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1223566
Azepan-1-yl[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 1111056
4-(Furan-2-yl)-1-[(3-methoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidin-6-amine
CID 9818556
A2A receptor antagonist 1
CID 9879687
4-(Furan-2-yl)-1-[(3-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-6-amine
CID 9901099
4-(Furan-2-yl)-1-(3-phenylpropyl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 9944894
1-[(2,6-Difluorophenyl)methyl]-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 9967146
3-bromo-5-(furan-2-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 9976396
2-Furan-2-yl-7-pyridin-3-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine
CID 10125392
2-Furan-2-yl-7-pyridin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine
CID 10192937
6-(furan-2-yl)-5-(pyrimidin-4-yl)-1H-pyrazolo[3,4-b]pyridine
CID 11952560
6-(2-Furyl)-5-pyrimidin-4-yl-1H-pyrazolo[3,4-b]pyridin-3-amine
CID 11952670

Frequently Asked Questions

What is the IUPAC name of ethane;N-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfinamide?
The IUPAC name of ethane;N-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfinamide (CID 142869962) is ethane;N-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfinamide.
What is the SMILES notation for ethane;N-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfinamide?
The canonical SMILES for ethane;N-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfinamide is CC.O=S(Nc1cc(-c2ccco2)nc2c(C(F)(F)F)cnn12)c1cccnc1.
What is the InChIKey of ethane;N-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfinamide?
The InChIKey is SGJQPEWYFSJKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N5O2S.C2H6/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;1-2/h1-9,23H;1-2H3.
What are the key properties of ethane;N-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfinamide?
ethane;N-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfinamide has a molecular weight of 423.42 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfinamide is sourced from PubChem (CID 142869962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).