N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxamide

C18H18FN5O3 — CID 58124167

IUPACN-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxamide
SMILESC[C@@H](O)[C@H](NC(=O)c1nn(Cc2ccccc2F)c2ncccc12)C(N)=O
InChIInChI=1S/C18H18FN5O3/c1-10(25)14(16(20)26)22-18(27)15-12-6-4-8-21-17(12)24(23-15)9-11-5-2-3-7-13(11)19/h2-8,10,14,25H,9H2,1H3,(H2,20,26)(H,22,27)/t10-,14+/m1/s1
InChIKeyCATMDOOHDPTNJB-YGRLFVJLSA-N
MW371.37 g/mol
LogP0.58
Rot. Bonds6

About N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxamide

N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxamide (PubChem CID 58124167) has the molecular formula C18H18FN5O3 and a molecular weight of 371.37 g/mol. Its IUPAC name is N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxamide
PubChem CID58124167
Molecular FormulaC18H18FN5O3
Molecular Weight371.37 g/mol
Exact Mass371.14
IUPAC NameN-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxamide
SMILESC[C@@H](O)[C@H](NC(=O)c1nn(Cc2ccccc2F)c2ncccc12)C(N)=O
InChIInChI=1S/C18H18FN5O3/c1-10(25)14(16(20)26)22-18(27)15-12-6-4-8-21-17(12)24(23-15)9-11-5-2-3-7-13(11)19/h2-8,10,14,25H,9H2,1H3,(H2,20,26)(H,22,27)/t10-,14+/m1/s1
InChIKeyCATMDOOHDPTNJB-YGRLFVJLSA-N
XLogP0.58
TPSA123.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.37
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxamide?
The IUPAC name of N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxamide (CID 58124167) is N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxamide?
The canonical SMILES for N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxamide is C[C@@H](O)[C@H](NC(=O)c1nn(Cc2ccccc2F)c2ncccc12)C(N)=O.
What is the InChIKey of N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxamide?
The InChIKey is CATMDOOHDPTNJB-YGRLFVJLSA-N. The full InChI is InChI=1S/C18H18FN5O3/c1-10(25)14(16(20)26)22-18(27)15-12-6-4-8-21-17(12)24(23-15)9-11-5-2-3-7-13(11)19/h2-8,10,14,25H,9H2,1H3,(H2,20,26)(H,22,27)/t10-,14+/m1/s1.
What are the key properties of N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxamide?
N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxamide has a molecular weight of 371.37 g/mol, XLogP of 0.58, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxamide is sourced from PubChem (CID 58124167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).