N-[(2S)-1-(1,3-dimethylpyrazol-4-yl)propan-2-yl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide

C17H22N6O — CID 51853362

IUPACN-[(2S)-1-(1,3-dimethylpyrazol-4-yl)propan-2-yl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)N[C@@H](C)Cc2cn(C)nc2C)c2cnn(C)c2n1
InChIInChI=1S/C17H22N6O/c1-10(6-13-9-22(4)21-12(13)3)20-17(24)14-7-11(2)19-16-15(14)8-18-23(16)5/h7-10H,6H2,1-5H3,(H,20,24)/t10-/m0/s1
InChIKeyGXNQXDKQDSAIJN-JTQLQIEISA-N
MW326.40 g/mol
LogP1.68
Rot. Bonds4

About N-[(2S)-1-(1,3-dimethylpyrazol-4-yl)propan-2-yl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide

N-[(2S)-1-(1,3-dimethylpyrazol-4-yl)propan-2-yl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 51853362) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[(2S)-1-(1,3-dimethylpyrazol-4-yl)propan-2-yl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(1,3-dimethylpyrazol-4-yl)propan-2-yl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID51853362
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC NameN-[(2S)-1-(1,3-dimethylpyrazol-4-yl)propan-2-yl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)N[C@@H](C)Cc2cn(C)nc2C)c2cnn(C)c2n1
InChIInChI=1S/C17H22N6O/c1-10(6-13-9-22(4)21-12(13)3)20-17(24)14-7-11(2)19-16-15(14)8-18-23(16)5/h7-10H,6H2,1-5H3,(H,20,24)/t10-/m0/s1
InChIKeyGXNQXDKQDSAIJN-JTQLQIEISA-N
XLogP1.68
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(1,3-dimethylpyrazol-4-yl)propan-2-yl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[(2S)-1-(1,3-dimethylpyrazol-4-yl)propan-2-yl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide (CID 51853362) is N-[(2S)-1-(1,3-dimethylpyrazol-4-yl)propan-2-yl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[(2S)-1-(1,3-dimethylpyrazol-4-yl)propan-2-yl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[(2S)-1-(1,3-dimethylpyrazol-4-yl)propan-2-yl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)N[C@@H](C)Cc2cn(C)nc2C)c2cnn(C)c2n1.
What is the InChIKey of N-[(2S)-1-(1,3-dimethylpyrazol-4-yl)propan-2-yl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is GXNQXDKQDSAIJN-JTQLQIEISA-N. The full InChI is InChI=1S/C17H22N6O/c1-10(6-13-9-22(4)21-12(13)3)20-17(24)14-7-11(2)19-16-15(14)8-18-23(16)5/h7-10H,6H2,1-5H3,(H,20,24)/t10-/m0/s1.
What are the key properties of N-[(2S)-1-(1,3-dimethylpyrazol-4-yl)propan-2-yl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
N-[(2S)-1-(1,3-dimethylpyrazol-4-yl)propan-2-yl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(1,3-dimethylpyrazol-4-yl)propan-2-yl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 51853362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).