3-(cyclopropylsulfonylmethyl)-5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenol

C21H20N4O3S — CID 167614558

IUPAC3-(cyclopropylsulfonylmethyl)-5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenol
SMILESCn1cc(-c2ccc3c(-c4cc(O)cc(CS(=O)(=O)C5CC5)c4)cnn3c2)cn1
InChIInChI=1S/C21H20N4O3S/c1-24-11-17(9-22-24)15-2-5-21-20(10-23-25(21)12-15)16-6-14(7-18(26)8-16)13-29(27,28)19-3-4-19/h2,5-12,19,26H,3-4,13H2,1H3
InChIKeyLJNUFNDRJFIMTC-UHFFFAOYSA-N
MW408.48 g/mol
LogP3.18
Rot. Bonds5

About 3-(cyclopropylsulfonylmethyl)-5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenol

3-(cyclopropylsulfonylmethyl)-5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenol (PubChem CID 167614558) has the molecular formula C21H20N4O3S and a molecular weight of 408.48 g/mol. Its IUPAC name is 3-(cyclopropylsulfonylmethyl)-5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenol.

Molecular Properties

Compound Name3-(cyclopropylsulfonylmethyl)-5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenol
PubChem CID167614558
Molecular FormulaC21H20N4O3S
Molecular Weight408.48 g/mol
Exact Mass408.13
IUPAC Name3-(cyclopropylsulfonylmethyl)-5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenol
SMILESCn1cc(-c2ccc3c(-c4cc(O)cc(CS(=O)(=O)C5CC5)c4)cnn3c2)cn1
InChIInChI=1S/C21H20N4O3S/c1-24-11-17(9-22-24)15-2-5-21-20(10-23-25(21)12-15)16-6-14(7-18(26)8-16)13-29(27,28)19-3-4-19/h2,5-12,19,26H,3-4,13H2,1H3
InChIKeyLJNUFNDRJFIMTC-UHFFFAOYSA-N
XLogP3.18
TPSA89.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[3-(cyclopropylsulfonylmethyl)-5-(6-fluoro-3-pyridinyl)phenyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine
CID 167605149
N-[3-(3,5-difluoro-2-pyridinyl)-5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]cyclopropanesulfonamide
CID 155403297
6-chloro-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]pyridin-2-amine
CID 155403549
1-methyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]cyclohexane-1-sulfonic acid
CID 178067484
6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 141364751
6-(1-methylpyrazol-4-yl)-3-propan-2-ylpyrazolo[1,5-a]pyridine
CID 169162772
3-[3-(3,5-difluoro-2-pyridinyl)-5-(methylsulfonylmethyl)phenyl]-6-[1-(3-methylsulfonylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine
CID 167607492
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[2-fluoro-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]acetamide
CID 176654473
3-(2,4-difluorophenyl)-5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-N-propan-2-ylaniline
CID 155403295
3-[3-(2,4-difluorophenyl)-5-(methylsulfonylmethyl)phenyl]-6-(2-methylpyrazol-3-yl)pyrazolo[1,5-a]pyridine
CID 167707220
N-(2-methylpropyl)-6-(1-methylpyrazol-4-yl)-N-propylpyrazolo[1,5-a]pyridin-3-amine
CID 172585261
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-3-yl]phenyl]acetamide;N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]acetamide;N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]acetamide
CID 165109119

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylsulfonylmethyl)-5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenol?
The IUPAC name of 3-(cyclopropylsulfonylmethyl)-5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenol (CID 167614558) is 3-(cyclopropylsulfonylmethyl)-5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenol.
What is the SMILES notation for 3-(cyclopropylsulfonylmethyl)-5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenol?
The canonical SMILES for 3-(cyclopropylsulfonylmethyl)-5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenol is Cn1cc(-c2ccc3c(-c4cc(O)cc(CS(=O)(=O)C5CC5)c4)cnn3c2)cn1.
What is the InChIKey of 3-(cyclopropylsulfonylmethyl)-5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenol?
The InChIKey is LJNUFNDRJFIMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3S/c1-24-11-17(9-22-24)15-2-5-21-20(10-23-25(21)12-15)16-6-14(7-18(26)8-16)13-29(27,28)19-3-4-19/h2,5-12,19,26H,3-4,13H2,1H3.
What are the key properties of 3-(cyclopropylsulfonylmethyl)-5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenol?
3-(cyclopropylsulfonylmethyl)-5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenol has a molecular weight of 408.48 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylsulfonylmethyl)-5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenol is sourced from PubChem (CID 167614558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).