3-(6-fluoro-1H-indazol-5-yl)-3-pyridin-3-ylpropanamide

C15H13FN4O — CID 118948491

IUPAC3-(6-fluoro-1H-indazol-5-yl)-3-pyridin-3-ylpropanamide
SMILESNC(=O)CC(c1cccnc1)c1cc2cn[nH]c2cc1F
InChIInChI=1S/C15H13FN4O/c16-13-6-14-10(8-19-20-14)4-12(13)11(5-15(17)21)9-2-1-3-18-7-9/h1-4,6-8,11H,5H2,(H2,17,21)(H,19,20)
InChIKeyPXBKCXFBZBHIPX-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.10
Rot. Bonds4

About 3-(6-fluoro-1H-indazol-5-yl)-3-pyridin-3-ylpropanamide

3-(6-fluoro-1H-indazol-5-yl)-3-pyridin-3-ylpropanamide (PubChem CID 118948491) has the molecular formula C15H13FN4O and a molecular weight of 284.29 g/mol. Its IUPAC name is 3-(6-fluoro-1H-indazol-5-yl)-3-pyridin-3-ylpropanamide.

Molecular Properties

Compound Name3-(6-fluoro-1H-indazol-5-yl)-3-pyridin-3-ylpropanamide
PubChem CID118948491
Molecular FormulaC15H13FN4O
Molecular Weight284.29 g/mol
Exact Mass284.11
IUPAC Name3-(6-fluoro-1H-indazol-5-yl)-3-pyridin-3-ylpropanamide
SMILESNC(=O)CC(c1cccnc1)c1cc2cn[nH]c2cc1F
InChIInChI=1S/C15H13FN4O/c16-13-6-14-10(8-19-20-14)4-12(13)11(5-15(17)21)9-2-1-3-18-7-9/h1-4,6-8,11H,5H2,(H2,17,21)(H,19,20)
InChIKeyPXBKCXFBZBHIPX-UHFFFAOYSA-N
XLogP2.10
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-1H-indazol-5-yl)-3-pyridin-3-ylpropanamide?
The IUPAC name of 3-(6-fluoro-1H-indazol-5-yl)-3-pyridin-3-ylpropanamide (CID 118948491) is 3-(6-fluoro-1H-indazol-5-yl)-3-pyridin-3-ylpropanamide.
What is the SMILES notation for 3-(6-fluoro-1H-indazol-5-yl)-3-pyridin-3-ylpropanamide?
The canonical SMILES for 3-(6-fluoro-1H-indazol-5-yl)-3-pyridin-3-ylpropanamide is NC(=O)CC(c1cccnc1)c1cc2cn[nH]c2cc1F.
What is the InChIKey of 3-(6-fluoro-1H-indazol-5-yl)-3-pyridin-3-ylpropanamide?
The InChIKey is PXBKCXFBZBHIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O/c16-13-6-14-10(8-19-20-14)4-12(13)11(5-15(17)21)9-2-1-3-18-7-9/h1-4,6-8,11H,5H2,(H2,17,21)(H,19,20).
What are the key properties of 3-(6-fluoro-1H-indazol-5-yl)-3-pyridin-3-ylpropanamide?
3-(6-fluoro-1H-indazol-5-yl)-3-pyridin-3-ylpropanamide has a molecular weight of 284.29 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoro-1H-indazol-5-yl)-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 118948491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).