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

C27H25F2N7O2S — CID 155403842

IUPACN-[3-(3,5-difluoro-2-pyridinyl)-5-[6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(-c2ncc(F)cc2F)cc(-c2cnn3cc(-c4cnn(C5CCNCC5)c4)ccc23)c1
InChIInChI=1S/C27H25F2N7O2S/c1-39(37,38)34-22-9-18(8-19(10-22)27-25(29)11-21(28)13-31-27)24-14-33-36-15-17(2-3-26(24)36)20-12-32-35(16-20)23-4-6-30-7-5-23/h2-3,8-16,23,30,34H,4-7H2,1H3
InChIKeyWYUFHIYDVSJLPL-UHFFFAOYSA-N
MW549.61 g/mol
LogP4.50
Rot. Bonds6

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

N-[3-(3,5-difluoro-2-pyridinyl)-5-[6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide (PubChem CID 155403842) has the molecular formula C27H25F2N7O2S and a molecular weight of 549.61 g/mol. Its IUPAC name is N-[3-(3,5-difluoro-2-pyridinyl)-5-[6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(3,5-difluoro-2-pyridinyl)-5-[6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide
PubChem CID155403842
Molecular FormulaC27H25F2N7O2S
Molecular Weight549.61 g/mol
Exact Mass549.18
IUPAC NameN-[3-(3,5-difluoro-2-pyridinyl)-5-[6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(-c2ncc(F)cc2F)cc(-c2cnn3cc(-c4cnn(C5CCNCC5)c4)ccc23)c1
InChIInChI=1S/C27H25F2N7O2S/c1-39(37,38)34-22-9-18(8-19(10-22)27-25(29)11-21(28)13-31-27)24-14-33-36-15-17(2-3-26(24)36)20-12-32-35(16-20)23-4-6-30-7-5-23/h2-3,8-16,23,30,34H,4-7H2,1H3
InChIKeyWYUFHIYDVSJLPL-UHFFFAOYSA-N
XLogP4.50
TPSA106.21 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500549.61
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[3-(3,5-difluoro-2-pyridinyl)-5-[6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-difluoro-2-pyridinyl)-5-[6-(1-piperidin-4-ylpyrazol-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-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide (CID 155403842) is N-[3-(3,5-difluoro-2-pyridinyl)-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-(3,5-difluoro-2-pyridinyl)-5-[6-(1-piperidin-4-ylpyrazol-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-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1cc(-c2ncc(F)cc2F)cc(-c2cnn3cc(-c4cnn(C5CCNCC5)c4)ccc23)c1.
What is the InChIKey of N-[3-(3,5-difluoro-2-pyridinyl)-5-[6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide?
The InChIKey is WYUFHIYDVSJLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F2N7O2S/c1-39(37,38)34-22-9-18(8-19(10-22)27-25(29)11-21(28)13-31-27)24-14-33-36-15-17(2-3-26(24)36)20-12-32-35(16-20)23-4-6-30-7-5-23/h2-3,8-16,23,30,34H,4-7H2,1H3.
What are the key properties of N-[3-(3,5-difluoro-2-pyridinyl)-5-[6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide?
N-[3-(3,5-difluoro-2-pyridinyl)-5-[6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide has a molecular weight of 549.61 g/mol, XLogP of 4.50, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-difluoro-2-pyridinyl)-5-[6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 155403842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).