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

C27H25F2N5O4S2 — CID 167607492

IUPAC3-[3-(3,5-difluoro-2-pyridinyl)-5-(methylsulfonylmethyl)phenyl]-6-[1-(3-methylsulfonylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine
SMILESCS(=O)(=O)CCCn1cc(-c2ccc3c(-c4cc(CS(C)(=O)=O)cc(-c5ncc(F)cc5F)c4)cnn3c2)cn1
InChIInChI=1S/C27H25F2N5O4S2/c1-39(35,36)7-3-6-33-15-22(12-31-33)19-4-5-26-24(14-32-34(26)16-19)20-8-18(17-40(2,37)38)9-21(10-20)27-25(29)11-23(28)13-30-27/h4-5,8-16H,3,6-7,17H2,1-2H3
InChIKeyMNYUEJKHWZKROW-UHFFFAOYSA-N
MW585.66 g/mol
LogP4.18
Rot. Bonds9

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

3-[3-(3,5-difluoro-2-pyridinyl)-5-(methylsulfonylmethyl)phenyl]-6-[1-(3-methylsulfonylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine (PubChem CID 167607492) has the molecular formula C27H25F2N5O4S2 and a molecular weight of 585.66 g/mol. Its IUPAC name is 3-[3-(3,5-difluoro-2-pyridinyl)-5-(methylsulfonylmethyl)phenyl]-6-[1-(3-methylsulfonylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name3-[3-(3,5-difluoro-2-pyridinyl)-5-(methylsulfonylmethyl)phenyl]-6-[1-(3-methylsulfonylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine
PubChem CID167607492
Molecular FormulaC27H25F2N5O4S2
Molecular Weight585.66 g/mol
Exact Mass585.13
IUPAC Name3-[3-(3,5-difluoro-2-pyridinyl)-5-(methylsulfonylmethyl)phenyl]-6-[1-(3-methylsulfonylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine
SMILESCS(=O)(=O)CCCn1cc(-c2ccc3c(-c4cc(CS(C)(=O)=O)cc(-c5ncc(F)cc5F)c4)cnn3c2)cn1
InChIInChI=1S/C27H25F2N5O4S2/c1-39(35,36)7-3-6-33-15-22(12-31-33)19-4-5-26-24(14-32-34(26)16-19)20-8-18(17-40(2,37)38)9-21(10-20)27-25(29)11-23(28)13-30-27/h4-5,8-16H,3,6-7,17H2,1-2H3
InChIKeyMNYUEJKHWZKROW-UHFFFAOYSA-N
XLogP4.18
TPSA116.29 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500585.66
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(3,5-difluoro-2-pyridinyl)-5-(methylsulfonylmethyl)phenyl]-6-[1-(3-methylsulfonylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine?
The IUPAC name of 3-[3-(3,5-difluoro-2-pyridinyl)-5-(methylsulfonylmethyl)phenyl]-6-[1-(3-methylsulfonylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine (CID 167607492) is 3-[3-(3,5-difluoro-2-pyridinyl)-5-(methylsulfonylmethyl)phenyl]-6-[1-(3-methylsulfonylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 3-[3-(3,5-difluoro-2-pyridinyl)-5-(methylsulfonylmethyl)phenyl]-6-[1-(3-methylsulfonylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine?
The canonical SMILES for 3-[3-(3,5-difluoro-2-pyridinyl)-5-(methylsulfonylmethyl)phenyl]-6-[1-(3-methylsulfonylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine is CS(=O)(=O)CCCn1cc(-c2ccc3c(-c4cc(CS(C)(=O)=O)cc(-c5ncc(F)cc5F)c4)cnn3c2)cn1.
What is the InChIKey of 3-[3-(3,5-difluoro-2-pyridinyl)-5-(methylsulfonylmethyl)phenyl]-6-[1-(3-methylsulfonylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine?
The InChIKey is MNYUEJKHWZKROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F2N5O4S2/c1-39(35,36)7-3-6-33-15-22(12-31-33)19-4-5-26-24(14-32-34(26)16-19)20-8-18(17-40(2,37)38)9-21(10-20)27-25(29)11-23(28)13-30-27/h4-5,8-16H,3,6-7,17H2,1-2H3.
What are the key properties of 3-[3-(3,5-difluoro-2-pyridinyl)-5-(methylsulfonylmethyl)phenyl]-6-[1-(3-methylsulfonylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine?
3-[3-(3,5-difluoro-2-pyridinyl)-5-(methylsulfonylmethyl)phenyl]-6-[1-(3-methylsulfonylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine has a molecular weight of 585.66 g/mol, XLogP of 4.18, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3,5-difluoro-2-pyridinyl)-5-(methylsulfonylmethyl)phenyl]-6-[1-(3-methylsulfonylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 167607492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).