N-[4-[5-(4-fluoroanilino)indazol-1-yl]phenyl]-1H-indole-5-carboxamide

C28H20FN5O — CID 67113091

IUPACN-[4-[5-(4-fluoroanilino)indazol-1-yl]phenyl]-1H-indole-5-carboxamide
SMILESO=C(Nc1ccc(-n2ncc3cc(Nc4ccc(F)cc4)ccc32)cc1)c1ccc2[nH]ccc2c1
InChIInChI=1S/C28H20FN5O/c29-21-2-4-22(5-3-21)32-24-8-12-27-20(16-24)17-31-34(27)25-9-6-23(7-10-25)33-28(35)19-1-11-26-18(15-19)13-14-30-26/h1-17,30,32H,(H,33,35)
InChIKeyLELIEHVAJDPLOT-UHFFFAOYSA-N
MW461.50 g/mol
LogP6.64
Rot. Bonds5

About N-[4-[5-(4-fluoroanilino)indazol-1-yl]phenyl]-1H-indole-5-carboxamide

N-[4-[5-(4-fluoroanilino)indazol-1-yl]phenyl]-1H-indole-5-carboxamide (PubChem CID 67113091) has the molecular formula C28H20FN5O and a molecular weight of 461.50 g/mol. Its IUPAC name is N-[4-[5-(4-fluoroanilino)indazol-1-yl]phenyl]-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[5-(4-fluoroanilino)indazol-1-yl]phenyl]-1H-indole-5-carboxamide
PubChem CID67113091
Molecular FormulaC28H20FN5O
Molecular Weight461.50 g/mol
Exact Mass461.17
IUPAC NameN-[4-[5-(4-fluoroanilino)indazol-1-yl]phenyl]-1H-indole-5-carboxamide
SMILESO=C(Nc1ccc(-n2ncc3cc(Nc4ccc(F)cc4)ccc32)cc1)c1ccc2[nH]ccc2c1
InChIInChI=1S/C28H20FN5O/c29-21-2-4-22(5-3-21)32-24-8-12-27-20(16-24)17-31-34(27)25-9-6-23(7-10-25)33-28(35)19-1-11-26-18(15-19)13-14-30-26/h1-17,30,32H,(H,33,35)
InChIKeyLELIEHVAJDPLOT-UHFFFAOYSA-N
XLogP6.64
TPSA74.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.50
LogP ≤ 56.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(4-fluoroanilino)indazol-1-yl]phenyl]-1H-indole-5-carboxamide?
The IUPAC name of N-[4-[5-(4-fluoroanilino)indazol-1-yl]phenyl]-1H-indole-5-carboxamide (CID 67113091) is N-[4-[5-(4-fluoroanilino)indazol-1-yl]phenyl]-1H-indole-5-carboxamide.
What is the SMILES notation for N-[4-[5-(4-fluoroanilino)indazol-1-yl]phenyl]-1H-indole-5-carboxamide?
The canonical SMILES for N-[4-[5-(4-fluoroanilino)indazol-1-yl]phenyl]-1H-indole-5-carboxamide is O=C(Nc1ccc(-n2ncc3cc(Nc4ccc(F)cc4)ccc32)cc1)c1ccc2[nH]ccc2c1.
What is the InChIKey of N-[4-[5-(4-fluoroanilino)indazol-1-yl]phenyl]-1H-indole-5-carboxamide?
The InChIKey is LELIEHVAJDPLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20FN5O/c29-21-2-4-22(5-3-21)32-24-8-12-27-20(16-24)17-31-34(27)25-9-6-23(7-10-25)33-28(35)19-1-11-26-18(15-19)13-14-30-26/h1-17,30,32H,(H,33,35).
What are the key properties of N-[4-[5-(4-fluoroanilino)indazol-1-yl]phenyl]-1H-indole-5-carboxamide?
N-[4-[5-(4-fluoroanilino)indazol-1-yl]phenyl]-1H-indole-5-carboxamide has a molecular weight of 461.50 g/mol, XLogP of 6.64, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(4-fluoroanilino)indazol-1-yl]phenyl]-1H-indole-5-carboxamide is sourced from PubChem (CID 67113091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).