5-fluoro-N-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-indazole-3-carboxamide

C21H14FN5O — CID 76684235

IUPAC5-fluoro-N-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-indazole-3-carboxamide
SMILESO=C(Nc1cnc2[nH]c(-c3ccccc3)cc2c1)c1n[nH]c2ccc(F)cc12
InChIInChI=1S/C21H14FN5O/c22-14-6-7-17-16(10-14)19(27-26-17)21(28)24-15-8-13-9-18(25-20(13)23-11-15)12-4-2-1-3-5-12/h1-11H,(H,23,25)(H,24,28)(H,26,27)
InChIKeyPHBGNBZPJDDTKE-UHFFFAOYSA-N
MW371.38 g/mol
LogP4.50
Rot. Bonds3

About 5-fluoro-N-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-indazole-3-carboxamide

5-fluoro-N-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-indazole-3-carboxamide (PubChem CID 76684235) has the molecular formula C21H14FN5O and a molecular weight of 371.38 g/mol. Its IUPAC name is 5-fluoro-N-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-indazole-3-carboxamide
PubChem CID76684235
Molecular FormulaC21H14FN5O
Molecular Weight371.38 g/mol
Exact Mass371.12
IUPAC Name5-fluoro-N-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-indazole-3-carboxamide
SMILESO=C(Nc1cnc2[nH]c(-c3ccccc3)cc2c1)c1n[nH]c2ccc(F)cc12
InChIInChI=1S/C21H14FN5O/c22-14-6-7-17-16(10-14)19(27-26-17)21(28)24-15-8-13-9-18(25-20(13)23-11-15)12-4-2-1-3-5-12/h1-11H,(H,23,25)(H,24,28)(H,26,27)
InChIKeyPHBGNBZPJDDTKE-UHFFFAOYSA-N
XLogP4.50
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.38
LogP ≤ 54.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-indazole-3-carboxamide?
The IUPAC name of 5-fluoro-N-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-indazole-3-carboxamide (CID 76684235) is 5-fluoro-N-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-fluoro-N-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-indazole-3-carboxamide?
The canonical SMILES for 5-fluoro-N-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-indazole-3-carboxamide is O=C(Nc1cnc2[nH]c(-c3ccccc3)cc2c1)c1n[nH]c2ccc(F)cc12.
What is the InChIKey of 5-fluoro-N-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-indazole-3-carboxamide?
The InChIKey is PHBGNBZPJDDTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14FN5O/c22-14-6-7-17-16(10-14)19(27-26-17)21(28)24-15-8-13-9-18(25-20(13)23-11-15)12-4-2-1-3-5-12/h1-11H,(H,23,25)(H,24,28)(H,26,27).
What are the key properties of 5-fluoro-N-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-indazole-3-carboxamide?
5-fluoro-N-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-indazole-3-carboxamide has a molecular weight of 371.38 g/mol, XLogP of 4.50, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 76684235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).