N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-3-carboxamide

C19H22N6O2 — CID 58124727

IUPACN-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-3-carboxamide
SMILESCC(C)(C)[C@H](NC(=O)c1nn(Cc2ccccn2)c2ncccc12)C(N)=O
InChIInChI=1S/C19H22N6O2/c1-19(2,3)15(16(20)26)23-18(27)14-13-8-6-10-22-17(13)25(24-14)11-12-7-4-5-9-21-12/h4-10,15H,11H2,1-3H3,(H2,20,26)(H,23,27)/t15-/m1/s1
InChIKeyOIMRVLXYOOVNKD-OAHLLOKOSA-N
MW366.43 g/mol
LogP1.50
Rot. Bonds5

About N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-3-carboxamide

N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-3-carboxamide (PubChem CID 58124727) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-3-carboxamide
PubChem CID58124727
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC NameN-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-3-carboxamide
SMILESCC(C)(C)[C@H](NC(=O)c1nn(Cc2ccccn2)c2ncccc12)C(N)=O
InChIInChI=1S/C19H22N6O2/c1-19(2,3)15(16(20)26)23-18(27)14-13-8-6-10-22-17(13)25(24-14)11-12-7-4-5-9-21-12/h4-10,15H,11H2,1-3H3,(H2,20,26)(H,23,27)/t15-/m1/s1
InChIKeyOIMRVLXYOOVNKD-OAHLLOKOSA-N
XLogP1.50
TPSA115.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-3-carboxamide?
The IUPAC name of N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-3-carboxamide (CID 58124727) is N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-3-carboxamide?
The canonical SMILES for N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-3-carboxamide is CC(C)(C)[C@H](NC(=O)c1nn(Cc2ccccn2)c2ncccc12)C(N)=O.
What is the InChIKey of N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-3-carboxamide?
The InChIKey is OIMRVLXYOOVNKD-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-19(2,3)15(16(20)26)23-18(27)14-13-8-6-10-22-17(13)25(24-14)11-12-7-4-5-9-21-12/h4-10,15H,11H2,1-3H3,(H2,20,26)(H,23,27)/t15-/m1/s1.
What are the key properties of N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-3-carboxamide?
N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-3-carboxamide has a molecular weight of 366.43 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-3-carboxamide is sourced from PubChem (CID 58124727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).