N-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-4H-pyridine-3-sulfonamide

C17H14F3N5O3S — CID 71199022

IUPACN-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-4H-pyridine-3-sulfonamide
SMILESCC1(S(=O)(=O)Nc2cc(-c3ccco3)nc3c(C(F)(F)F)cnn23)C=NC=CC1
InChIInChI=1S/C17H14F3N5O3S/c1-16(5-3-6-21-10-16)29(26,27)24-14-8-12(13-4-2-7-28-13)23-15-11(17(18,19)20)9-22-25(14)15/h2-4,6-10,24H,5H2,1H3
InChIKeyHGQUSFGJKUAPJO-UHFFFAOYSA-N
MW425.39 g/mol
LogP3.50
Rot. Bonds4

About N-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-4H-pyridine-3-sulfonamide

N-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-4H-pyridine-3-sulfonamide (PubChem CID 71199022) has the molecular formula C17H14F3N5O3S and a molecular weight of 425.39 g/mol. Its IUPAC name is N-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-4H-pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-4H-pyridine-3-sulfonamide
PubChem CID71199022
Molecular FormulaC17H14F3N5O3S
Molecular Weight425.39 g/mol
Exact Mass425.08
IUPAC NameN-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-4H-pyridine-3-sulfonamide
SMILESCC1(S(=O)(=O)Nc2cc(-c3ccco3)nc3c(C(F)(F)F)cnn23)C=NC=CC1
InChIInChI=1S/C17H14F3N5O3S/c1-16(5-3-6-21-10-16)29(26,27)24-14-8-12(13-4-2-7-28-13)23-15-11(17(18,19)20)9-22-25(14)15/h2-4,6-10,24H,5H2,1H3
InChIKeyHGQUSFGJKUAPJO-UHFFFAOYSA-N
XLogP3.50
TPSA101.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.39
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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]-3-methyl-4H-pyridine-3-sulfonamide?
The IUPAC name of N-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-4H-pyridine-3-sulfonamide (CID 71199022) is N-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-4H-pyridine-3-sulfonamide.
What is the SMILES notation for N-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-4H-pyridine-3-sulfonamide?
The canonical SMILES for N-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-4H-pyridine-3-sulfonamide is CC1(S(=O)(=O)Nc2cc(-c3ccco3)nc3c(C(F)(F)F)cnn23)C=NC=CC1.
What is the InChIKey of N-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-4H-pyridine-3-sulfonamide?
The InChIKey is HGQUSFGJKUAPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N5O3S/c1-16(5-3-6-21-10-16)29(26,27)24-14-8-12(13-4-2-7-28-13)23-15-11(17(18,19)20)9-22-25(14)15/h2-4,6-10,24H,5H2,1H3.
What are the key properties of N-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-4H-pyridine-3-sulfonamide?
N-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-4H-pyridine-3-sulfonamide has a molecular weight of 425.39 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 7 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]-3-methyl-4H-pyridine-3-sulfonamide is sourced from PubChem (CID 71199022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).