N-[3-(3,5-difluoro-2-pyridinyl)-5-[6-[1-(3-methylsulfonylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide

C26H24F2N6O4S2 — CID 155403563

IUPACN-[3-(3,5-difluoro-2-pyridinyl)-5-[6-[1-(3-methylsulfonylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)CCCn1cc(-c2ccc3c(-c4cc(NS(C)(=O)=O)cc(-c5ncc(F)cc5F)c4)cnn3c2)cn1
InChIInChI=1S/C26H24F2N6O4S2/c1-39(35,36)7-3-6-33-15-20(12-30-33)17-4-5-25-23(14-31-34(25)16-17)18-8-19(10-22(9-18)32-40(2,37)38)26-24(28)11-21(27)13-29-26/h4-5,8-16,32H,3,6-7H2,1-2H3
InChIKeyIMOVTJKJHDSSCX-UHFFFAOYSA-N
MW586.65 g/mol
LogP4.01
Rot. Bonds9

About N-[3-(3,5-difluoro-2-pyridinyl)-5-[6-[1-(3-methylsulfonylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide

N-[3-(3,5-difluoro-2-pyridinyl)-5-[6-[1-(3-methylsulfonylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide (PubChem CID 155403563) has the molecular formula C26H24F2N6O4S2 and a molecular weight of 586.65 g/mol. Its IUPAC name is N-[3-(3,5-difluoro-2-pyridinyl)-5-[6-[1-(3-methylsulfonylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(3,5-difluoro-2-pyridinyl)-5-[6-[1-(3-methylsulfonylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide
PubChem CID155403563
Molecular FormulaC26H24F2N6O4S2
Molecular Weight586.65 g/mol
Exact Mass586.13
IUPAC NameN-[3-(3,5-difluoro-2-pyridinyl)-5-[6-[1-(3-methylsulfonylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)CCCn1cc(-c2ccc3c(-c4cc(NS(C)(=O)=O)cc(-c5ncc(F)cc5F)c4)cnn3c2)cn1
InChIInChI=1S/C26H24F2N6O4S2/c1-39(35,36)7-3-6-33-15-20(12-30-33)17-4-5-25-23(14-31-34(25)16-17)18-8-19(10-22(9-18)32-40(2,37)38)26-24(28)11-21(27)13-29-26/h4-5,8-16,32H,3,6-7H2,1-2H3
InChIKeyIMOVTJKJHDSSCX-UHFFFAOYSA-N
XLogP4.01
TPSA128.32 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500586.65
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-difluoro-2-pyridinyl)-5-[6-[1-(3-methylsulfonylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-(3,5-difluoro-2-pyridinyl)-5-[6-[1-(3-methylsulfonylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide (CID 155403563) is N-[3-(3,5-difluoro-2-pyridinyl)-5-[6-[1-(3-methylsulfonylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-(3,5-difluoro-2-pyridinyl)-5-[6-[1-(3-methylsulfonylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-(3,5-difluoro-2-pyridinyl)-5-[6-[1-(3-methylsulfonylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide is CS(=O)(=O)CCCn1cc(-c2ccc3c(-c4cc(NS(C)(=O)=O)cc(-c5ncc(F)cc5F)c4)cnn3c2)cn1.
What is the InChIKey of N-[3-(3,5-difluoro-2-pyridinyl)-5-[6-[1-(3-methylsulfonylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide?
The InChIKey is IMOVTJKJHDSSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F2N6O4S2/c1-39(35,36)7-3-6-33-15-20(12-30-33)17-4-5-25-23(14-31-34(25)16-17)18-8-19(10-22(9-18)32-40(2,37)38)26-24(28)11-21(27)13-29-26/h4-5,8-16,32H,3,6-7H2,1-2H3.
What are the key properties of N-[3-(3,5-difluoro-2-pyridinyl)-5-[6-[1-(3-methylsulfonylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide?
N-[3-(3,5-difluoro-2-pyridinyl)-5-[6-[1-(3-methylsulfonylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide has a molecular weight of 586.65 g/mol, XLogP of 4.01, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-difluoro-2-pyridinyl)-5-[6-[1-(3-methylsulfonylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 155403563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).