N-[3-(2,4-difluorophenyl)-5-[6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide

C28H26F2N6O2S — CID 155403292

IUPACN-[3-(2,4-difluorophenyl)-5-[6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(-c2ccc(F)cc2F)cc(-c2cnn3cc(-c4cnn(C5CCNCC5)c4)ccc23)c1
InChIInChI=1S/C28H26F2N6O2S/c1-39(37,38)34-23-11-19(25-4-3-22(29)13-27(25)30)10-20(12-23)26-15-33-36-16-18(2-5-28(26)36)21-14-32-35(17-21)24-6-8-31-9-7-24/h2-5,10-17,24,31,34H,6-9H2,1H3
InChIKeyFYAYCAQUMSCDSV-UHFFFAOYSA-N
MW548.62 g/mol
LogP5.11
Rot. Bonds6

About N-[3-(2,4-difluorophenyl)-5-[6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide

N-[3-(2,4-difluorophenyl)-5-[6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide (PubChem CID 155403292) has the molecular formula C28H26F2N6O2S and a molecular weight of 548.62 g/mol. Its IUPAC name is N-[3-(2,4-difluorophenyl)-5-[6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(2,4-difluorophenyl)-5-[6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide
PubChem CID155403292
Molecular FormulaC28H26F2N6O2S
Molecular Weight548.62 g/mol
Exact Mass548.18
IUPAC NameN-[3-(2,4-difluorophenyl)-5-[6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(-c2ccc(F)cc2F)cc(-c2cnn3cc(-c4cnn(C5CCNCC5)c4)ccc23)c1
InChIInChI=1S/C28H26F2N6O2S/c1-39(37,38)34-23-11-19(25-4-3-22(29)13-27(25)30)10-20(12-23)26-15-33-36-16-18(2-5-28(26)36)21-14-32-35(17-21)24-6-8-31-9-7-24/h2-5,10-17,24,31,34H,6-9H2,1H3
InChIKeyFYAYCAQUMSCDSV-UHFFFAOYSA-N
XLogP5.11
TPSA93.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.62
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2,4-difluorophenyl)-5-[6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-(2,4-difluorophenyl)-5-[6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide (CID 155403292) is N-[3-(2,4-difluorophenyl)-5-[6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-(2,4-difluorophenyl)-5-[6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-(2,4-difluorophenyl)-5-[6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1cc(-c2ccc(F)cc2F)cc(-c2cnn3cc(-c4cnn(C5CCNCC5)c4)ccc23)c1.
What is the InChIKey of N-[3-(2,4-difluorophenyl)-5-[6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide?
The InChIKey is FYAYCAQUMSCDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26F2N6O2S/c1-39(37,38)34-23-11-19(25-4-3-22(29)13-27(25)30)10-20(12-23)26-15-33-36-16-18(2-5-28(26)36)21-14-32-35(17-21)24-6-8-31-9-7-24/h2-5,10-17,24,31,34H,6-9H2,1H3.
What are the key properties of N-[3-(2,4-difluorophenyl)-5-[6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide?
N-[3-(2,4-difluorophenyl)-5-[6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide has a molecular weight of 548.62 g/mol, XLogP of 5.11, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,4-difluorophenyl)-5-[6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 155403292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).