1,3,6-trimethyl-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide

C19H22N4O3S — CID 51646933

IUPAC1,3,6-trimethyl-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c2c(C)nn(C)c2n1
InChIInChI=1S/C19H22N4O3S/c1-11-10-16(17-13(3)22-23(4)18(17)20-11)19(24)21-12(2)14-6-8-15(9-7-14)27(5,25)26/h6-10,12H,1-5H3,(H,21,24)/t12-/m0/s1
InChIKeyAZPFOCBHWNIDSX-LBPRGKRZSA-N
MW386.48 g/mol
LogP2.48
Rot. Bonds4

About 1,3,6-trimethyl-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide

1,3,6-trimethyl-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 51646933) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is 1,3,6-trimethyl-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1,3,6-trimethyl-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID51646933
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC Name1,3,6-trimethyl-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c2c(C)nn(C)c2n1
InChIInChI=1S/C19H22N4O3S/c1-11-10-16(17-13(3)22-23(4)18(17)20-11)19(24)21-12(2)14-6-8-15(9-7-14)27(5,25)26/h6-10,12H,1-5H3,(H,21,24)/t12-/m0/s1
InChIKeyAZPFOCBHWNIDSX-LBPRGKRZSA-N
XLogP2.48
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 16621030
1,3,6-trimethyl-N-[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 26249415
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 47019152
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 51537772
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 16621924
N-(1,1-diphenylpropan-2-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 55588598
1,3-dimethyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 41448100
1,3-dimethyl-6-phenyl-N-(1-pyridin-4-ylethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 51322660
2-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]butanoic acid
CID 119223760
1,3,6-trimethyl-N-[4-(2-methylpropanoylamino)phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 31864419
1,3,6-trimethyl-N-[(2R)-2-phenylpropyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 32753002
1,3,6-trimethyl-N-(1-methylpyrazol-3-yl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 16622173

Frequently Asked Questions

What is the IUPAC name of 1,3,6-trimethyl-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of 1,3,6-trimethyl-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide (CID 51646933) is 1,3,6-trimethyl-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 1,3,6-trimethyl-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for 1,3,6-trimethyl-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c2c(C)nn(C)c2n1.
What is the InChIKey of 1,3,6-trimethyl-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is AZPFOCBHWNIDSX-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-11-10-16(17-13(3)22-23(4)18(17)20-11)19(24)21-12(2)14-6-8-15(9-7-14)27(5,25)26/h6-10,12H,1-5H3,(H,21,24)/t12-/m0/s1.
What are the key properties of 1,3,6-trimethyl-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide?
1,3,6-trimethyl-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 386.48 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,6-trimethyl-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 51646933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).