3-methyl-1-(3-methylsulfonylphenyl)-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine

C22H22N4O2S — CID 25093256

IUPAC3-methyl-1-(3-methylsulfonylphenyl)-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine
SMILESCc1nn(-c2cccc(S(C)(=O)=O)c2)c2cc(N[C@@H](C)c3ccccc3)ncc12
InChIInChI=1S/C22H22N4O2S/c1-15(17-8-5-4-6-9-17)24-22-13-21-20(14-23-22)16(2)25-26(21)18-10-7-11-19(12-18)29(3,27)28/h4-15H,1-3H3,(H,23,24)/t15-/m0/s1
InChIKeyFPYKYTAARCRYBS-HNNXBMFYSA-N
MW406.51 g/mol
LogP4.31
Rot. Bonds5

About 3-methyl-1-(3-methylsulfonylphenyl)-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine

3-methyl-1-(3-methylsulfonylphenyl)-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine (PubChem CID 25093256) has the molecular formula C22H22N4O2S and a molecular weight of 406.51 g/mol. Its IUPAC name is 3-methyl-1-(3-methylsulfonylphenyl)-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine.

Molecular Properties

Compound Name3-methyl-1-(3-methylsulfonylphenyl)-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine
PubChem CID25093256
Molecular FormulaC22H22N4O2S
Molecular Weight406.51 g/mol
Exact Mass406.15
IUPAC Name3-methyl-1-(3-methylsulfonylphenyl)-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine
SMILESCc1nn(-c2cccc(S(C)(=O)=O)c2)c2cc(N[C@@H](C)c3ccccc3)ncc12
InChIInChI=1S/C22H22N4O2S/c1-15(17-8-5-4-6-9-17)24-22-13-21-20(14-23-22)16(2)25-26(21)18-10-7-11-19(12-18)29(3,27)28/h4-15H,1-3H3,(H,23,24)/t15-/m0/s1
InChIKeyFPYKYTAARCRYBS-HNNXBMFYSA-N
XLogP4.31
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-methylsulfonylphenyl)-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine?
The IUPAC name of 3-methyl-1-(3-methylsulfonylphenyl)-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine (CID 25093256) is 3-methyl-1-(3-methylsulfonylphenyl)-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine.
What is the SMILES notation for 3-methyl-1-(3-methylsulfonylphenyl)-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine?
The canonical SMILES for 3-methyl-1-(3-methylsulfonylphenyl)-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine is Cc1nn(-c2cccc(S(C)(=O)=O)c2)c2cc(N[C@@H](C)c3ccccc3)ncc12.
What is the InChIKey of 3-methyl-1-(3-methylsulfonylphenyl)-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine?
The InChIKey is FPYKYTAARCRYBS-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H22N4O2S/c1-15(17-8-5-4-6-9-17)24-22-13-21-20(14-23-22)16(2)25-26(21)18-10-7-11-19(12-18)29(3,27)28/h4-15H,1-3H3,(H,23,24)/t15-/m0/s1.
What are the key properties of 3-methyl-1-(3-methylsulfonylphenyl)-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine?
3-methyl-1-(3-methylsulfonylphenyl)-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine has a molecular weight of 406.51 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-methylsulfonylphenyl)-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine is sourced from PubChem (CID 25093256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).