5-(2-fluoro-3-pyridinyl)-1-(oxan-2-yl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)indazole-3-carboxamide

C27H26FN5O2 — CID 156501611

IUPAC5-(2-fluoro-3-pyridinyl)-1-(oxan-2-yl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)indazole-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)CNCC2)c1nn(C2CCCCO2)c2ccc(-c3cccnc3F)cc12
InChIInChI=1S/C27H26FN5O2/c28-26-21(4-3-11-30-26)18-7-9-23-22(15-18)25(32-33(23)24-5-1-2-13-35-24)27(34)31-20-8-6-17-10-12-29-16-19(17)14-20/h3-4,6-9,11,14-15,24,29H,1-2,5,10,12-13,16H2,(H,31,34)
InChIKeyIWZRHLMELAEJPX-UHFFFAOYSA-N
MW471.54 g/mol
LogP4.83
Rot. Bonds4

About 5-(2-fluoro-3-pyridinyl)-1-(oxan-2-yl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)indazole-3-carboxamide

5-(2-fluoro-3-pyridinyl)-1-(oxan-2-yl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)indazole-3-carboxamide (PubChem CID 156501611) has the molecular formula C27H26FN5O2 and a molecular weight of 471.54 g/mol. Its IUPAC name is 5-(2-fluoro-3-pyridinyl)-1-(oxan-2-yl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)indazole-3-carboxamide.

Molecular Properties

Compound Name5-(2-fluoro-3-pyridinyl)-1-(oxan-2-yl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)indazole-3-carboxamide
PubChem CID156501611
Molecular FormulaC27H26FN5O2
Molecular Weight471.54 g/mol
Exact Mass471.21
IUPAC Name5-(2-fluoro-3-pyridinyl)-1-(oxan-2-yl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)indazole-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)CNCC2)c1nn(C2CCCCO2)c2ccc(-c3cccnc3F)cc12
InChIInChI=1S/C27H26FN5O2/c28-26-21(4-3-11-30-26)18-7-9-23-22(15-18)25(32-33(23)24-5-1-2-13-35-24)27(34)31-20-8-6-17-10-12-29-16-19(17)14-20/h3-4,6-9,11,14-15,24,29H,1-2,5,10,12-13,16H2,(H,31,34)
InChIKeyIWZRHLMELAEJPX-UHFFFAOYSA-N
XLogP4.83
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.54
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-3-pyridinyl)-1-(oxan-2-yl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)indazole-3-carboxamide?
The IUPAC name of 5-(2-fluoro-3-pyridinyl)-1-(oxan-2-yl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)indazole-3-carboxamide (CID 156501611) is 5-(2-fluoro-3-pyridinyl)-1-(oxan-2-yl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)indazole-3-carboxamide.
What is the SMILES notation for 5-(2-fluoro-3-pyridinyl)-1-(oxan-2-yl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)indazole-3-carboxamide?
The canonical SMILES for 5-(2-fluoro-3-pyridinyl)-1-(oxan-2-yl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)indazole-3-carboxamide is O=C(Nc1ccc2c(c1)CNCC2)c1nn(C2CCCCO2)c2ccc(-c3cccnc3F)cc12.
What is the InChIKey of 5-(2-fluoro-3-pyridinyl)-1-(oxan-2-yl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)indazole-3-carboxamide?
The InChIKey is IWZRHLMELAEJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN5O2/c28-26-21(4-3-11-30-26)18-7-9-23-22(15-18)25(32-33(23)24-5-1-2-13-35-24)27(34)31-20-8-6-17-10-12-29-16-19(17)14-20/h3-4,6-9,11,14-15,24,29H,1-2,5,10,12-13,16H2,(H,31,34).
What are the key properties of 5-(2-fluoro-3-pyridinyl)-1-(oxan-2-yl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)indazole-3-carboxamide?
5-(2-fluoro-3-pyridinyl)-1-(oxan-2-yl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)indazole-3-carboxamide has a molecular weight of 471.54 g/mol, XLogP of 4.83, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-3-pyridinyl)-1-(oxan-2-yl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)indazole-3-carboxamide is sourced from PubChem (CID 156501611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).