N-[(2R)-2-(dimethylamino)propyl]-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide

C16H25N5O — CID 95280574

IUPACN-[(2R)-2-(dimethylamino)propyl]-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCC(C)Cn1ncc2cc(C(=O)NC[C@@H](C)N(C)C)cnc21
InChIInChI=1S/C16H25N5O/c1-11(2)10-21-15-13(9-19-21)6-14(8-17-15)16(22)18-7-12(3)20(4)5/h6,8-9,11-12H,7,10H2,1-5H3,(H,18,22)/t12-/m1/s1
InChIKeyITDZOMJTWUAPFQ-GFCCVEGCSA-N
MW303.41 g/mol
LogP1.77
Rot. Bonds6

About N-[(2R)-2-(dimethylamino)propyl]-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide

N-[(2R)-2-(dimethylamino)propyl]-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 95280574) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is N-[(2R)-2-(dimethylamino)propyl]-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(dimethylamino)propyl]-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID95280574
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC NameN-[(2R)-2-(dimethylamino)propyl]-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCC(C)Cn1ncc2cc(C(=O)NC[C@@H](C)N(C)C)cnc21
InChIInChI=1S/C16H25N5O/c1-11(2)10-21-15-13(9-19-21)6-14(8-17-15)16(22)18-7-12(3)20(4)5/h6,8-9,11-12H,7,10H2,1-5H3,(H,18,22)/t12-/m1/s1
InChIKeyITDZOMJTWUAPFQ-GFCCVEGCSA-N
XLogP1.77
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[2-[methyl-[1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carbonyl]amino]ethyl]-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 166204525
N-(3-hydroxy-2,2,4-trimethylpentyl)-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 109381046
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 120943720
[1-(2-methylpropyl)pyrazolo[3,4-b]pyridin-5-yl]-pyrrolidin-1-ylmethanone
CID 166191038
[(3S,5S)-3,5-dimethylpiperazin-1-yl]-[1-(2-methylpropyl)pyrazolo[3,4-b]pyridin-5-yl]methanone
CID 124589357
N-(1H-indazol-5-yl)-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 51100658
N-(2-aminoethyl)-1-(2-methylpropyl)-N-(2-phenylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 120886892
1-[1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carbonyl]pyrrolidine-2-carboxylic acid
CID 126769097
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride
CID 120884055
N-[2-(dimethylamino)propyl]-6-(methylamino)pyridine-3-carboxamide
CID 62175314
N-(3-amino-2-methylpropyl)-1-[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride
CID 119998253
1-benzyl-N-(3-methylbutan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 43042463

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(dimethylamino)propyl]-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N-[(2R)-2-(dimethylamino)propyl]-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide (CID 95280574) is N-[(2R)-2-(dimethylamino)propyl]-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[(2R)-2-(dimethylamino)propyl]-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-[(2R)-2-(dimethylamino)propyl]-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide is CC(C)Cn1ncc2cc(C(=O)NC[C@@H](C)N(C)C)cnc21.
What is the InChIKey of N-[(2R)-2-(dimethylamino)propyl]-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is ITDZOMJTWUAPFQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H25N5O/c1-11(2)10-21-15-13(9-19-21)6-14(8-17-15)16(22)18-7-12(3)20(4)5/h6,8-9,11-12H,7,10H2,1-5H3,(H,18,22)/t12-/m1/s1.
What are the key properties of N-[(2R)-2-(dimethylamino)propyl]-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
N-[(2R)-2-(dimethylamino)propyl]-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(dimethylamino)propyl]-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 95280574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).