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

C28H27F2N7O3S — CID 165375304

IUPACN-[3-(3,5-difluoro-2-pyridinyl)-5-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(-c2ncc(F)cc2F)cc(-c2cnn3cc(-c4cnn(CCN5CCOCC5)c4)ccc23)c1
InChIInChI=1S/C28H27F2N7O3S/c1-41(38,39)34-24-11-20(10-21(12-24)28-26(30)13-23(29)15-31-28)25-16-33-37-18-19(2-3-27(25)37)22-14-32-36(17-22)5-4-35-6-8-40-9-7-35/h2-3,10-18,34H,4-9H2,1H3
InChIKeySKYFBSVLBZKCIR-UHFFFAOYSA-N
MW579.63 g/mol
LogP3.91
Rot. Bonds8

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

N-[3-(3,5-difluoro-2-pyridinyl)-5-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide (PubChem CID 165375304) has the molecular formula C28H27F2N7O3S and a molecular weight of 579.63 g/mol. Its IUPAC name is N-[3-(3,5-difluoro-2-pyridinyl)-5-[6-[1-(2-morpholin-4-ylethyl)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-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide
PubChem CID165375304
Molecular FormulaC28H27F2N7O3S
Molecular Weight579.63 g/mol
Exact Mass579.19
IUPAC NameN-[3-(3,5-difluoro-2-pyridinyl)-5-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(-c2ncc(F)cc2F)cc(-c2cnn3cc(-c4cnn(CCN5CCOCC5)c4)ccc23)c1
InChIInChI=1S/C28H27F2N7O3S/c1-41(38,39)34-24-11-20(10-21(12-24)28-26(30)13-23(29)15-31-28)25-16-33-37-18-19(2-3-27(25)37)22-14-32-36(17-22)5-4-35-6-8-40-9-7-35/h2-3,10-18,34H,4-9H2,1H3
InChIKeySKYFBSVLBZKCIR-UHFFFAOYSA-N
XLogP3.91
TPSA106.65 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500579.63
LogP ≤ 53.91
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-(2-morpholin-4-ylethyl)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-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide (CID 165375304) is N-[3-(3,5-difluoro-2-pyridinyl)-5-[6-[1-(2-morpholin-4-ylethyl)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-(2-morpholin-4-ylethyl)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-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1cc(-c2ncc(F)cc2F)cc(-c2cnn3cc(-c4cnn(CCN5CCOCC5)c4)ccc23)c1.
What is the InChIKey of N-[3-(3,5-difluoro-2-pyridinyl)-5-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide?
The InChIKey is SKYFBSVLBZKCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F2N7O3S/c1-41(38,39)34-24-11-20(10-21(12-24)28-26(30)13-23(29)15-31-28)25-16-33-37-18-19(2-3-27(25)37)22-14-32-36(17-22)5-4-35-6-8-40-9-7-35/h2-3,10-18,34H,4-9H2,1H3.
What are the key properties of N-[3-(3,5-difluoro-2-pyridinyl)-5-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide?
N-[3-(3,5-difluoro-2-pyridinyl)-5-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide has a molecular weight of 579.63 g/mol, XLogP of 3.91, 8 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-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 165375304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).