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

C27H24F2N6O4S — CID 155403567

IUPACN-[3-(3,5-difluoro-2-pyridinyl)-5-[6-[1-(1,4-dioxan-2-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(-c2ncc(F)cc2F)cc(-c2cnn3cc(-c4cnn(CC5COCCO5)c4)ccc23)c1
InChIInChI=1S/C27H24F2N6O4S/c1-40(36,37)33-22-7-18(6-19(8-22)27-25(29)9-21(28)11-30-27)24-12-32-35-14-17(2-3-26(24)35)20-10-31-34(13-20)15-23-16-38-4-5-39-23/h2-3,6-14,23,33H,4-5,15-16H2,1H3
InChIKeyVQHUSYUFAYUBGO-UHFFFAOYSA-N
MW566.59 g/mol
LogP3.99
Rot. Bonds7

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

N-[3-(3,5-difluoro-2-pyridinyl)-5-[6-[1-(1,4-dioxan-2-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide (PubChem CID 155403567) has the molecular formula C27H24F2N6O4S and a molecular weight of 566.59 g/mol. Its IUPAC name is N-[3-(3,5-difluoro-2-pyridinyl)-5-[6-[1-(1,4-dioxan-2-ylmethyl)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-(1,4-dioxan-2-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide
PubChem CID155403567
Molecular FormulaC27H24F2N6O4S
Molecular Weight566.59 g/mol
Exact Mass566.15
IUPAC NameN-[3-(3,5-difluoro-2-pyridinyl)-5-[6-[1-(1,4-dioxan-2-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(-c2ncc(F)cc2F)cc(-c2cnn3cc(-c4cnn(CC5COCCO5)c4)ccc23)c1
InChIInChI=1S/C27H24F2N6O4S/c1-40(36,37)33-22-7-18(6-19(8-22)27-25(29)9-21(28)11-30-27)24-12-32-35-14-17(2-3-26(24)35)20-10-31-34(13-20)15-23-16-38-4-5-39-23/h2-3,6-14,23,33H,4-5,15-16H2,1H3
InChIKeyVQHUSYUFAYUBGO-UHFFFAOYSA-N
XLogP3.99
TPSA112.64 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.59
LogP ≤ 53.99
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-(1,4-dioxan-2-ylmethyl)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-(1,4-dioxan-2-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide (CID 155403567) is N-[3-(3,5-difluoro-2-pyridinyl)-5-[6-[1-(1,4-dioxan-2-ylmethyl)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-(1,4-dioxan-2-ylmethyl)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-(1,4-dioxan-2-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1cc(-c2ncc(F)cc2F)cc(-c2cnn3cc(-c4cnn(CC5COCCO5)c4)ccc23)c1.
What is the InChIKey of N-[3-(3,5-difluoro-2-pyridinyl)-5-[6-[1-(1,4-dioxan-2-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide?
The InChIKey is VQHUSYUFAYUBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F2N6O4S/c1-40(36,37)33-22-7-18(6-19(8-22)27-25(29)9-21(28)11-30-27)24-12-32-35-14-17(2-3-26(24)35)20-10-31-34(13-20)15-23-16-38-4-5-39-23/h2-3,6-14,23,33H,4-5,15-16H2,1H3.
What are the key properties of N-[3-(3,5-difluoro-2-pyridinyl)-5-[6-[1-(1,4-dioxan-2-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide?
N-[3-(3,5-difluoro-2-pyridinyl)-5-[6-[1-(1,4-dioxan-2-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide has a molecular weight of 566.59 g/mol, XLogP of 3.99, 7 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-(1,4-dioxan-2-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 155403567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).