6-(4-aminophenyl)-N-(6-fluoro-1H-indazol-5-yl)-1-propan-2-ylpyrrolo[3,2-b]pyridine-3-carboxamide

C24H21FN6O — CID 155566749

IUPAC6-(4-aminophenyl)-N-(6-fluoro-1H-indazol-5-yl)-1-propan-2-ylpyrrolo[3,2-b]pyridine-3-carboxamide
SMILESCC(C)n1cc(C(=O)Nc2cc3cn[nH]c3cc2F)c2ncc(-c3ccc(N)cc3)cc21
InChIInChI=1S/C24H21FN6O/c1-13(2)31-12-18(24(32)29-21-7-16-11-28-30-20(16)9-19(21)25)23-22(31)8-15(10-27-23)14-3-5-17(26)6-4-14/h3-13H,26H2,1-2H3,(H,28,30)(H,29,32)
InChIKeyNWKPQWAZOMCVOH-UHFFFAOYSA-N
MW428.47 g/mol
LogP5.13
Rot. Bonds4

About 6-(4-aminophenyl)-N-(6-fluoro-1H-indazol-5-yl)-1-propan-2-ylpyrrolo[3,2-b]pyridine-3-carboxamide

6-(4-aminophenyl)-N-(6-fluoro-1H-indazol-5-yl)-1-propan-2-ylpyrrolo[3,2-b]pyridine-3-carboxamide (PubChem CID 155566749) has the molecular formula C24H21FN6O and a molecular weight of 428.47 g/mol. Its IUPAC name is 6-(4-aminophenyl)-N-(6-fluoro-1H-indazol-5-yl)-1-propan-2-ylpyrrolo[3,2-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-aminophenyl)-N-(6-fluoro-1H-indazol-5-yl)-1-propan-2-ylpyrrolo[3,2-b]pyridine-3-carboxamide
PubChem CID155566749
Molecular FormulaC24H21FN6O
Molecular Weight428.47 g/mol
Exact Mass428.18
IUPAC Name6-(4-aminophenyl)-N-(6-fluoro-1H-indazol-5-yl)-1-propan-2-ylpyrrolo[3,2-b]pyridine-3-carboxamide
SMILESCC(C)n1cc(C(=O)Nc2cc3cn[nH]c3cc2F)c2ncc(-c3ccc(N)cc3)cc21
InChIInChI=1S/C24H21FN6O/c1-13(2)31-12-18(24(32)29-21-7-16-11-28-30-20(16)9-19(21)25)23-22(31)8-15(10-27-23)14-3-5-17(26)6-4-14/h3-13H,26H2,1-2H3,(H,28,30)(H,29,32)
InChIKeyNWKPQWAZOMCVOH-UHFFFAOYSA-N
XLogP5.13
TPSA101.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.47
LogP ≤ 55.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(4-aminophenyl)-N-(6-fluoro-1H-indazol-5-yl)-1-propan-2-ylpyrrolo[3,2-b]pyridine-3-carboxamide?
The IUPAC name of 6-(4-aminophenyl)-N-(6-fluoro-1H-indazol-5-yl)-1-propan-2-ylpyrrolo[3,2-b]pyridine-3-carboxamide (CID 155566749) is 6-(4-aminophenyl)-N-(6-fluoro-1H-indazol-5-yl)-1-propan-2-ylpyrrolo[3,2-b]pyridine-3-carboxamide.
What is the SMILES notation for 6-(4-aminophenyl)-N-(6-fluoro-1H-indazol-5-yl)-1-propan-2-ylpyrrolo[3,2-b]pyridine-3-carboxamide?
The canonical SMILES for 6-(4-aminophenyl)-N-(6-fluoro-1H-indazol-5-yl)-1-propan-2-ylpyrrolo[3,2-b]pyridine-3-carboxamide is CC(C)n1cc(C(=O)Nc2cc3cn[nH]c3cc2F)c2ncc(-c3ccc(N)cc3)cc21.
What is the InChIKey of 6-(4-aminophenyl)-N-(6-fluoro-1H-indazol-5-yl)-1-propan-2-ylpyrrolo[3,2-b]pyridine-3-carboxamide?
The InChIKey is NWKPQWAZOMCVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN6O/c1-13(2)31-12-18(24(32)29-21-7-16-11-28-30-20(16)9-19(21)25)23-22(31)8-15(10-27-23)14-3-5-17(26)6-4-14/h3-13H,26H2,1-2H3,(H,28,30)(H,29,32).
What are the key properties of 6-(4-aminophenyl)-N-(6-fluoro-1H-indazol-5-yl)-1-propan-2-ylpyrrolo[3,2-b]pyridine-3-carboxamide?
6-(4-aminophenyl)-N-(6-fluoro-1H-indazol-5-yl)-1-propan-2-ylpyrrolo[3,2-b]pyridine-3-carboxamide has a molecular weight of 428.47 g/mol, XLogP of 5.13, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-aminophenyl)-N-(6-fluoro-1H-indazol-5-yl)-1-propan-2-ylpyrrolo[3,2-b]pyridine-3-carboxamide is sourced from PubChem (CID 155566749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).