N-[6-[4-(3-cyano-8-azabicyclo[3.2.1]octan-8-yl)pyrazolo[1,5-a]pyridin-3-yl]naphthalen-2-yl]methanesulfonamide

C26H25N5O2S — CID 135249523

IUPACN-[6-[4-(3-cyano-8-azabicyclo[3.2.1]octan-8-yl)pyrazolo[1,5-a]pyridin-3-yl]naphthalen-2-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc2cc(-c3cnn4cccc(N5C6CCC5CC(C#N)C6)c34)ccc2c1
InChIInChI=1S/C26H25N5O2S/c1-34(32,33)29-21-7-6-18-13-20(5-4-19(18)14-21)24-16-28-30-10-2-3-25(26(24)30)31-22-8-9-23(31)12-17(11-22)15-27/h2-7,10,13-14,16-17,22-23,29H,8-9,11-12H2,1H3
InChIKeyMYPIYQPZUUFOAE-UHFFFAOYSA-N
MW471.59 g/mol
LogP4.80
Rot. Bonds4

About N-[6-[4-(3-cyano-8-azabicyclo[3.2.1]octan-8-yl)pyrazolo[1,5-a]pyridin-3-yl]naphthalen-2-yl]methanesulfonamide

N-[6-[4-(3-cyano-8-azabicyclo[3.2.1]octan-8-yl)pyrazolo[1,5-a]pyridin-3-yl]naphthalen-2-yl]methanesulfonamide (PubChem CID 135249523) has the molecular formula C26H25N5O2S and a molecular weight of 471.59 g/mol. Its IUPAC name is N-[6-[4-(3-cyano-8-azabicyclo[3.2.1]octan-8-yl)pyrazolo[1,5-a]pyridin-3-yl]naphthalen-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-[4-(3-cyano-8-azabicyclo[3.2.1]octan-8-yl)pyrazolo[1,5-a]pyridin-3-yl]naphthalen-2-yl]methanesulfonamide
PubChem CID135249523
Molecular FormulaC26H25N5O2S
Molecular Weight471.59 g/mol
Exact Mass471.17
IUPAC NameN-[6-[4-(3-cyano-8-azabicyclo[3.2.1]octan-8-yl)pyrazolo[1,5-a]pyridin-3-yl]naphthalen-2-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc2cc(-c3cnn4cccc(N5C6CCC5CC(C#N)C6)c34)ccc2c1
InChIInChI=1S/C26H25N5O2S/c1-34(32,33)29-21-7-6-18-13-20(5-4-19(18)14-21)24-16-28-30-10-2-3-25(26(24)30)31-22-8-9-23(31)12-17(11-22)15-27/h2-7,10,13-14,16-17,22-23,29H,8-9,11-12H2,1H3
InChIKeyMYPIYQPZUUFOAE-UHFFFAOYSA-N
XLogP4.80
TPSA90.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.59
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(3-cyano-8-azabicyclo[3.2.1]octan-8-yl)pyrazolo[1,5-a]pyridin-3-yl]naphthalen-2-yl]methanesulfonamide?
The IUPAC name of N-[6-[4-(3-cyano-8-azabicyclo[3.2.1]octan-8-yl)pyrazolo[1,5-a]pyridin-3-yl]naphthalen-2-yl]methanesulfonamide (CID 135249523) is N-[6-[4-(3-cyano-8-azabicyclo[3.2.1]octan-8-yl)pyrazolo[1,5-a]pyridin-3-yl]naphthalen-2-yl]methanesulfonamide.
What is the SMILES notation for N-[6-[4-(3-cyano-8-azabicyclo[3.2.1]octan-8-yl)pyrazolo[1,5-a]pyridin-3-yl]naphthalen-2-yl]methanesulfonamide?
The canonical SMILES for N-[6-[4-(3-cyano-8-azabicyclo[3.2.1]octan-8-yl)pyrazolo[1,5-a]pyridin-3-yl]naphthalen-2-yl]methanesulfonamide is CS(=O)(=O)Nc1ccc2cc(-c3cnn4cccc(N5C6CCC5CC(C#N)C6)c34)ccc2c1.
What is the InChIKey of N-[6-[4-(3-cyano-8-azabicyclo[3.2.1]octan-8-yl)pyrazolo[1,5-a]pyridin-3-yl]naphthalen-2-yl]methanesulfonamide?
The InChIKey is MYPIYQPZUUFOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O2S/c1-34(32,33)29-21-7-6-18-13-20(5-4-19(18)14-21)24-16-28-30-10-2-3-25(26(24)30)31-22-8-9-23(31)12-17(11-22)15-27/h2-7,10,13-14,16-17,22-23,29H,8-9,11-12H2,1H3.
What are the key properties of N-[6-[4-(3-cyano-8-azabicyclo[3.2.1]octan-8-yl)pyrazolo[1,5-a]pyridin-3-yl]naphthalen-2-yl]methanesulfonamide?
N-[6-[4-(3-cyano-8-azabicyclo[3.2.1]octan-8-yl)pyrazolo[1,5-a]pyridin-3-yl]naphthalen-2-yl]methanesulfonamide has a molecular weight of 471.59 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(3-cyano-8-azabicyclo[3.2.1]octan-8-yl)pyrazolo[1,5-a]pyridin-3-yl]naphthalen-2-yl]methanesulfonamide is sourced from PubChem (CID 135249523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).