1,5-dicyclopropyl-4-(3-methyl-4-methylsulfonylphenyl)pyrazolo[3,4-c]pyridine-3-carboxamide

C21H22N4O3S — CID 175413409

IUPAC1,5-dicyclopropyl-4-(3-methyl-4-methylsulfonylphenyl)pyrazolo[3,4-c]pyridine-3-carboxamide
SMILESCc1cc(-c2c(C3CC3)ncc3c2c(C(N)=O)nn3C2CC2)ccc1S(C)(=O)=O
InChIInChI=1S/C21H22N4O3S/c1-11-9-13(5-8-16(11)29(2,27)28)17-18-15(10-23-19(17)12-3-4-12)25(14-6-7-14)24-20(18)21(22)26/h5,8-10,12,14H,3-4,6-7H2,1-2H3,(H2,22,26)
InChIKeyMEJPPOPOKCCALE-UHFFFAOYSA-N
MW410.50 g/mol
LogP3.12
Rot. Bonds5

About 1,5-dicyclopropyl-4-(3-methyl-4-methylsulfonylphenyl)pyrazolo[3,4-c]pyridine-3-carboxamide

1,5-dicyclopropyl-4-(3-methyl-4-methylsulfonylphenyl)pyrazolo[3,4-c]pyridine-3-carboxamide (PubChem CID 175413409) has the molecular formula C21H22N4O3S and a molecular weight of 410.50 g/mol. Its IUPAC name is 1,5-dicyclopropyl-4-(3-methyl-4-methylsulfonylphenyl)pyrazolo[3,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name1,5-dicyclopropyl-4-(3-methyl-4-methylsulfonylphenyl)pyrazolo[3,4-c]pyridine-3-carboxamide
PubChem CID175413409
Molecular FormulaC21H22N4O3S
Molecular Weight410.50 g/mol
Exact Mass410.14
IUPAC Name1,5-dicyclopropyl-4-(3-methyl-4-methylsulfonylphenyl)pyrazolo[3,4-c]pyridine-3-carboxamide
SMILESCc1cc(-c2c(C3CC3)ncc3c2c(C(N)=O)nn3C2CC2)ccc1S(C)(=O)=O
InChIInChI=1S/C21H22N4O3S/c1-11-9-13(5-8-16(11)29(2,27)28)17-18-15(10-23-19(17)12-3-4-12)25(14-6-7-14)24-20(18)21(22)26/h5,8-10,12,14H,3-4,6-7H2,1-2H3,(H2,22,26)
InChIKeyMEJPPOPOKCCALE-UHFFFAOYSA-N
XLogP3.12
TPSA107.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,5-dicyclopropyl-4-(3-methyl-4-methylsulfonylphenyl)pyrazolo[3,4-c]pyridine-3-carboxamide?
The IUPAC name of 1,5-dicyclopropyl-4-(3-methyl-4-methylsulfonylphenyl)pyrazolo[3,4-c]pyridine-3-carboxamide (CID 175413409) is 1,5-dicyclopropyl-4-(3-methyl-4-methylsulfonylphenyl)pyrazolo[3,4-c]pyridine-3-carboxamide.
What is the SMILES notation for 1,5-dicyclopropyl-4-(3-methyl-4-methylsulfonylphenyl)pyrazolo[3,4-c]pyridine-3-carboxamide?
The canonical SMILES for 1,5-dicyclopropyl-4-(3-methyl-4-methylsulfonylphenyl)pyrazolo[3,4-c]pyridine-3-carboxamide is Cc1cc(-c2c(C3CC3)ncc3c2c(C(N)=O)nn3C2CC2)ccc1S(C)(=O)=O.
What is the InChIKey of 1,5-dicyclopropyl-4-(3-methyl-4-methylsulfonylphenyl)pyrazolo[3,4-c]pyridine-3-carboxamide?
The InChIKey is MEJPPOPOKCCALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3S/c1-11-9-13(5-8-16(11)29(2,27)28)17-18-15(10-23-19(17)12-3-4-12)25(14-6-7-14)24-20(18)21(22)26/h5,8-10,12,14H,3-4,6-7H2,1-2H3,(H2,22,26).
What are the key properties of 1,5-dicyclopropyl-4-(3-methyl-4-methylsulfonylphenyl)pyrazolo[3,4-c]pyridine-3-carboxamide?
1,5-dicyclopropyl-4-(3-methyl-4-methylsulfonylphenyl)pyrazolo[3,4-c]pyridine-3-carboxamide has a molecular weight of 410.50 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dicyclopropyl-4-(3-methyl-4-methylsulfonylphenyl)pyrazolo[3,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 175413409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).