1-methyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]cyclohexane-1-sulfonic acid

C18H22N4O3S — CID 178067484

IUPAC1-methyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]cyclohexane-1-sulfonic acid
SMILESCn1cc(-c2ccc3c(C4CCC(C)(S(=O)(=O)O)CC4)cnn3c2)cn1
InChIInChI=1S/C18H22N4O3S/c1-18(26(23,24)25)7-5-13(6-8-18)16-10-20-22-12-14(3-4-17(16)22)15-9-19-21(2)11-15/h3-4,9-13H,5-8H2,1-2H3,(H,23,24,25)
InChIKeyRVPIYAVGKPAFLV-UHFFFAOYSA-N
MW374.47 g/mol
LogP3.04
Rot. Bonds3

About 1-methyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]cyclohexane-1-sulfonic acid

1-methyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]cyclohexane-1-sulfonic acid (PubChem CID 178067484) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is 1-methyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]cyclohexane-1-sulfonic acid.

Molecular Properties

Compound Name1-methyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]cyclohexane-1-sulfonic acid
PubChem CID178067484
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC Name1-methyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]cyclohexane-1-sulfonic acid
SMILESCn1cc(-c2ccc3c(C4CCC(C)(S(=O)(=O)O)CC4)cnn3c2)cn1
InChIInChI=1S/C18H22N4O3S/c1-18(26(23,24)25)7-5-13(6-8-18)16-10-20-22-12-14(3-4-17(16)22)15-9-19-21(2)11-15/h3-4,9-13H,5-8H2,1-2H3,(H,23,24,25)
InChIKeyRVPIYAVGKPAFLV-UHFFFAOYSA-N
XLogP3.04
TPSA89.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

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-(cyclopropylsulfonylmethyl)-5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenol
CID 167614558
N-(2-methylpropyl)-6-(1-methylpyrazol-4-yl)-N-propylpyrazolo[1,5-a]pyridin-3-amine
CID 172585261
N-[(3R)-1-cyanopyrrolidin-3-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 122590863
3-[3-(cyclopropylsulfonylmethyl)-5-(6-fluoro-3-pyridinyl)phenyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine
CID 167605149
1-[6-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]ethanone
CID 118674967
N-[3-(3,5-difluoro-2-pyridinyl)-5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]cyclopropanesulfonamide
CID 155403297
(2-cyanophenyl)methyl 1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperidine-4-carboxylate
CID 177117950
6-chloro-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]pyridin-2-amine
CID 155403549
6-(1-methylpyrazol-4-yl)-3-[4-[2-(oxan-2-yl)-1,2,4-triazol-3-yl]piperazin-1-yl]pyrazolo[1,5-a]pyridine
CID 172585303
1-methyl-4-(4-phenylphenyl)pyrazole
CID 135064285

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]cyclohexane-1-sulfonic acid?
The IUPAC name of 1-methyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]cyclohexane-1-sulfonic acid (CID 178067484) is 1-methyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]cyclohexane-1-sulfonic acid.
What is the SMILES notation for 1-methyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]cyclohexane-1-sulfonic acid?
The canonical SMILES for 1-methyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]cyclohexane-1-sulfonic acid is Cn1cc(-c2ccc3c(C4CCC(C)(S(=O)(=O)O)CC4)cnn3c2)cn1.
What is the InChIKey of 1-methyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]cyclohexane-1-sulfonic acid?
The InChIKey is RVPIYAVGKPAFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S/c1-18(26(23,24)25)7-5-13(6-8-18)16-10-20-22-12-14(3-4-17(16)22)15-9-19-21(2)11-15/h3-4,9-13H,5-8H2,1-2H3,(H,23,24,25).
What are the key properties of 1-methyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]cyclohexane-1-sulfonic acid?
1-methyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]cyclohexane-1-sulfonic acid has a molecular weight of 374.47 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]cyclohexane-1-sulfonic acid is sourced from PubChem (CID 178067484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).