N-[2-amino-5-(4-fluorophenyl)phenyl]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide

C20H17FN4O — CID 89183213

IUPACN-[2-amino-5-(4-fluorophenyl)phenyl]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide
SMILESNc1ccc(-c2ccc(F)cc2)cc1NC(=O)N1Cc2cccnc2C1
InChIInChI=1S/C20H17FN4O/c21-16-6-3-13(4-7-16)14-5-8-17(22)18(10-14)24-20(26)25-11-15-2-1-9-23-19(15)12-25/h1-10H,11-12,22H2,(H,24,26)
InChIKeyQDABOYLCTVQGDZ-UHFFFAOYSA-N
MW348.38 g/mol
LogP4.02
Rot. Bonds2

About N-[2-amino-5-(4-fluorophenyl)phenyl]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide

N-[2-amino-5-(4-fluorophenyl)phenyl]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide (PubChem CID 89183213) has the molecular formula C20H17FN4O and a molecular weight of 348.38 g/mol. Its IUPAC name is N-[2-amino-5-(4-fluorophenyl)phenyl]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[2-amino-5-(4-fluorophenyl)phenyl]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide
PubChem CID89183213
Molecular FormulaC20H17FN4O
Molecular Weight348.38 g/mol
Exact Mass348.14
IUPAC NameN-[2-amino-5-(4-fluorophenyl)phenyl]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide
SMILESNc1ccc(-c2ccc(F)cc2)cc1NC(=O)N1Cc2cccnc2C1
InChIInChI=1S/C20H17FN4O/c21-16-6-3-13(4-7-16)14-5-8-17(22)18(10-14)24-20(26)25-11-15-2-1-9-23-19(15)12-25/h1-10H,11-12,22H2,(H,24,26)
InChIKeyQDABOYLCTVQGDZ-UHFFFAOYSA-N
XLogP4.02
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-amino-5-(4-fluorophenyl)phenyl]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide?
The IUPAC name of N-[2-amino-5-(4-fluorophenyl)phenyl]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide (CID 89183213) is N-[2-amino-5-(4-fluorophenyl)phenyl]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide.
What is the SMILES notation for N-[2-amino-5-(4-fluorophenyl)phenyl]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide?
The canonical SMILES for N-[2-amino-5-(4-fluorophenyl)phenyl]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide is Nc1ccc(-c2ccc(F)cc2)cc1NC(=O)N1Cc2cccnc2C1.
What is the InChIKey of N-[2-amino-5-(4-fluorophenyl)phenyl]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide?
The InChIKey is QDABOYLCTVQGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O/c21-16-6-3-13(4-7-16)14-5-8-17(22)18(10-14)24-20(26)25-11-15-2-1-9-23-19(15)12-25/h1-10H,11-12,22H2,(H,24,26).
What are the key properties of N-[2-amino-5-(4-fluorophenyl)phenyl]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide?
N-[2-amino-5-(4-fluorophenyl)phenyl]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide has a molecular weight of 348.38 g/mol, XLogP of 4.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-5-(4-fluorophenyl)phenyl]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide is sourced from PubChem (CID 89183213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).