N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[6-(2-methyl-1-methylsulfanyloxypropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]benzamide;ethane

C26H33F2N3O4S — CID 155727586

IUPACN-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[6-(2-methyl-1-methylsulfanyloxypropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]benzamide;ethane
SMILESCC.COc1cc(-c2cnn3cc(C(C)(C)COSC)ccc23)cc(OC(F)F)c1C(=O)NC1CC1
InChIInChI=1S/C24H27F2N3O4S.C2H6/c1-24(2,13-32-34-4)15-5-8-18-17(11-27-29(18)12-15)14-9-19(31-3)21(20(10-14)33-23(25)26)22(30)28-16-6-7-16;1-2/h5,8-12,16,23H,6-7,13H2,1-4H3,(H,28,30);1-2H3
InChIKeyRHUXBCSVYPWPBT-UHFFFAOYSA-N
MW521.63 g/mol
LogP6.10
Rot. Bonds10

About N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[6-(2-methyl-1-methylsulfanyloxypropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]benzamide;ethane

N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[6-(2-methyl-1-methylsulfanyloxypropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]benzamide;ethane (PubChem CID 155727586) has the molecular formula C26H33F2N3O4S and a molecular weight of 521.63 g/mol. Its IUPAC name is N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[6-(2-methyl-1-methylsulfanyloxypropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]benzamide;ethane.

Molecular Properties

Compound NameN-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[6-(2-methyl-1-methylsulfanyloxypropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]benzamide;ethane
PubChem CID155727586
Molecular FormulaC26H33F2N3O4S
Molecular Weight521.63 g/mol
Exact Mass521.22
IUPAC NameN-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[6-(2-methyl-1-methylsulfanyloxypropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]benzamide;ethane
SMILESCC.COc1cc(-c2cnn3cc(C(C)(C)COSC)ccc23)cc(OC(F)F)c1C(=O)NC1CC1
InChIInChI=1S/C24H27F2N3O4S.C2H6/c1-24(2,13-32-34-4)15-5-8-18-17(11-27-29(18)12-15)14-9-19(31-3)21(20(10-14)33-23(25)26)22(30)28-16-6-7-16;1-2/h5,8-12,16,23H,6-7,13H2,1-4H3,(H,28,30);1-2H3
InChIKeyRHUXBCSVYPWPBT-UHFFFAOYSA-N
XLogP6.10
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.63
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[6-(2-methyl-1-methylsulfanyloxypropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]benzamide;ethane?
The IUPAC name of N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[6-(2-methyl-1-methylsulfanyloxypropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]benzamide;ethane (CID 155727586) is N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[6-(2-methyl-1-methylsulfanyloxypropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]benzamide;ethane.
What is the SMILES notation for N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[6-(2-methyl-1-methylsulfanyloxypropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]benzamide;ethane?
The canonical SMILES for N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[6-(2-methyl-1-methylsulfanyloxypropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]benzamide;ethane is CC.COc1cc(-c2cnn3cc(C(C)(C)COSC)ccc23)cc(OC(F)F)c1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[6-(2-methyl-1-methylsulfanyloxypropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]benzamide;ethane?
The InChIKey is RHUXBCSVYPWPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F2N3O4S.C2H6/c1-24(2,13-32-34-4)15-5-8-18-17(11-27-29(18)12-15)14-9-19(31-3)21(20(10-14)33-23(25)26)22(30)28-16-6-7-16;1-2/h5,8-12,16,23H,6-7,13H2,1-4H3,(H,28,30);1-2H3.
What are the key properties of N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[6-(2-methyl-1-methylsulfanyloxypropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]benzamide;ethane?
N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[6-(2-methyl-1-methylsulfanyloxypropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]benzamide;ethane has a molecular weight of 521.63 g/mol, XLogP of 6.10, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[6-(2-methyl-1-methylsulfanyloxypropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]benzamide;ethane is sourced from PubChem (CID 155727586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).