propan-2-yl N-[2-(2-fluoro-5-formamidophenyl)pyrazolo[3,4-b]pyridin-5-yl]carbamate

C17H16FN5O3 — CID 167133669

IUPACpropan-2-yl N-[2-(2-fluoro-5-formamidophenyl)pyrazolo[3,4-b]pyridin-5-yl]carbamate
SMILESCC(C)OC(=O)Nc1cnc2nn(-c3cc(NC=O)ccc3F)cc2c1
InChIInChI=1S/C17H16FN5O3/c1-10(2)26-17(25)21-13-5-11-8-23(22-16(11)19-7-13)15-6-12(20-9-24)3-4-14(15)18/h3-10H,1-2H3,(H,20,24)(H,21,25)
InChIKeyXVHHDYMUKDUBLO-UHFFFAOYSA-N
MW357.35 g/mol
LogP3.08
Rot. Bonds5

About propan-2-yl N-[2-(2-fluoro-5-formamidophenyl)pyrazolo[3,4-b]pyridin-5-yl]carbamate

propan-2-yl N-[2-(2-fluoro-5-formamidophenyl)pyrazolo[3,4-b]pyridin-5-yl]carbamate (PubChem CID 167133669) has the molecular formula C17H16FN5O3 and a molecular weight of 357.35 g/mol. Its IUPAC name is propan-2-yl N-[2-(2-fluoro-5-formamidophenyl)pyrazolo[3,4-b]pyridin-5-yl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[2-(2-fluoro-5-formamidophenyl)pyrazolo[3,4-b]pyridin-5-yl]carbamate
PubChem CID167133669
Molecular FormulaC17H16FN5O3
Molecular Weight357.35 g/mol
Exact Mass357.12
IUPAC Namepropan-2-yl N-[2-(2-fluoro-5-formamidophenyl)pyrazolo[3,4-b]pyridin-5-yl]carbamate
SMILESCC(C)OC(=O)Nc1cnc2nn(-c3cc(NC=O)ccc3F)cc2c1
InChIInChI=1S/C17H16FN5O3/c1-10(2)26-17(25)21-13-5-11-8-23(22-16(11)19-7-13)15-6-12(20-9-24)3-4-14(15)18/h3-10H,1-2H3,(H,20,24)(H,21,25)
InChIKeyXVHHDYMUKDUBLO-UHFFFAOYSA-N
XLogP3.08
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.35
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[2-(2-fluoro-5-formamidophenyl)pyrazolo[3,4-b]pyridin-5-yl]carbamate?
The IUPAC name of propan-2-yl N-[2-(2-fluoro-5-formamidophenyl)pyrazolo[3,4-b]pyridin-5-yl]carbamate (CID 167133669) is propan-2-yl N-[2-(2-fluoro-5-formamidophenyl)pyrazolo[3,4-b]pyridin-5-yl]carbamate.
What is the SMILES notation for propan-2-yl N-[2-(2-fluoro-5-formamidophenyl)pyrazolo[3,4-b]pyridin-5-yl]carbamate?
The canonical SMILES for propan-2-yl N-[2-(2-fluoro-5-formamidophenyl)pyrazolo[3,4-b]pyridin-5-yl]carbamate is CC(C)OC(=O)Nc1cnc2nn(-c3cc(NC=O)ccc3F)cc2c1.
What is the InChIKey of propan-2-yl N-[2-(2-fluoro-5-formamidophenyl)pyrazolo[3,4-b]pyridin-5-yl]carbamate?
The InChIKey is XVHHDYMUKDUBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O3/c1-10(2)26-17(25)21-13-5-11-8-23(22-16(11)19-7-13)15-6-12(20-9-24)3-4-14(15)18/h3-10H,1-2H3,(H,20,24)(H,21,25).
What are the key properties of propan-2-yl N-[2-(2-fluoro-5-formamidophenyl)pyrazolo[3,4-b]pyridin-5-yl]carbamate?
propan-2-yl N-[2-(2-fluoro-5-formamidophenyl)pyrazolo[3,4-b]pyridin-5-yl]carbamate has a molecular weight of 357.35 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[2-(2-fluoro-5-formamidophenyl)pyrazolo[3,4-b]pyridin-5-yl]carbamate is sourced from PubChem (CID 167133669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).