4-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]benzenesulfonamide

C22H19F2N3O3S — CID 126689469

IUPAC4-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]benzenesulfonamide
SMILESCc1nn2ccc(-c3ccc(S(N)(=O)=O)cc3)cc2c1Cc1ccccc1OC(F)F
InChIInChI=1S/C22H19F2N3O3S/c1-14-19(12-17-4-2-3-5-21(17)30-22(23)24)20-13-16(10-11-27(20)26-14)15-6-8-18(9-7-15)31(25,28)29/h2-11,13,22H,12H2,1H3,(H2,25,28,29)
InChIKeySCEXWFZLONTJCO-UHFFFAOYSA-N
MW443.48 g/mol
LogP4.15
Rot. Bonds6

About 4-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]benzenesulfonamide

4-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]benzenesulfonamide (PubChem CID 126689469) has the molecular formula C22H19F2N3O3S and a molecular weight of 443.48 g/mol. Its IUPAC name is 4-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]benzenesulfonamide
PubChem CID126689469
Molecular FormulaC22H19F2N3O3S
Molecular Weight443.48 g/mol
Exact Mass443.11
IUPAC Name4-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]benzenesulfonamide
SMILESCc1nn2ccc(-c3ccc(S(N)(=O)=O)cc3)cc2c1Cc1ccccc1OC(F)F
InChIInChI=1S/C22H19F2N3O3S/c1-14-19(12-17-4-2-3-5-21(17)30-22(23)24)20-13-16(10-11-27(20)26-14)15-6-8-18(9-7-15)31(25,28)29/h2-11,13,22H,12H2,1H3,(H2,25,28,29)
InChIKeySCEXWFZLONTJCO-UHFFFAOYSA-N
XLogP4.15
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.48
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]benzenesulfonamide?
The IUPAC name of 4-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]benzenesulfonamide (CID 126689469) is 4-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]benzenesulfonamide is Cc1nn2ccc(-c3ccc(S(N)(=O)=O)cc3)cc2c1Cc1ccccc1OC(F)F.
What is the InChIKey of 4-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]benzenesulfonamide?
The InChIKey is SCEXWFZLONTJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N3O3S/c1-14-19(12-17-4-2-3-5-21(17)30-22(23)24)20-13-16(10-11-27(20)26-14)15-6-8-18(9-7-15)31(25,28)29/h2-11,13,22H,12H2,1H3,(H2,25,28,29).
What are the key properties of 4-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]benzenesulfonamide?
4-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]benzenesulfonamide has a molecular weight of 443.48 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]benzenesulfonamide is sourced from PubChem (CID 126689469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).