4-fluoro-N-(1H-indazol-5-yl)-3-methyl-N-pyridin-3-ylbutanamide

C17H17FN4O — CID 118948681

IUPAC4-fluoro-N-(1H-indazol-5-yl)-3-methyl-N-pyridin-3-ylbutanamide
SMILESCC(CF)CC(=O)N(c1cccnc1)c1ccc2[nH]ncc2c1
InChIInChI=1S/C17H17FN4O/c1-12(9-18)7-17(23)22(15-3-2-6-19-11-15)14-4-5-16-13(8-14)10-20-21-16/h2-6,8,10-12H,7,9H2,1H3,(H,20,21)
InChIKeyKKCQPQPTGGOXNA-UHFFFAOYSA-N
MW312.35 g/mol
LogP3.62
Rot. Bonds5

About 4-fluoro-N-(1H-indazol-5-yl)-3-methyl-N-pyridin-3-ylbutanamide

4-fluoro-N-(1H-indazol-5-yl)-3-methyl-N-pyridin-3-ylbutanamide (PubChem CID 118948681) has the molecular formula C17H17FN4O and a molecular weight of 312.35 g/mol. Its IUPAC name is 4-fluoro-N-(1H-indazol-5-yl)-3-methyl-N-pyridin-3-ylbutanamide.

Molecular Properties

Compound Name4-fluoro-N-(1H-indazol-5-yl)-3-methyl-N-pyridin-3-ylbutanamide
PubChem CID118948681
Molecular FormulaC17H17FN4O
Molecular Weight312.35 g/mol
Exact Mass312.14
IUPAC Name4-fluoro-N-(1H-indazol-5-yl)-3-methyl-N-pyridin-3-ylbutanamide
SMILESCC(CF)CC(=O)N(c1cccnc1)c1ccc2[nH]ncc2c1
InChIInChI=1S/C17H17FN4O/c1-12(9-18)7-17(23)22(15-3-2-6-19-11-15)14-4-5-16-13(8-14)10-20-21-16/h2-6,8,10-12H,7,9H2,1H3,(H,20,21)
InChIKeyKKCQPQPTGGOXNA-UHFFFAOYSA-N
XLogP3.62
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(1H-indazol-5-yl)-3-methyl-N-pyridin-3-ylbutanamide?
The IUPAC name of 4-fluoro-N-(1H-indazol-5-yl)-3-methyl-N-pyridin-3-ylbutanamide (CID 118948681) is 4-fluoro-N-(1H-indazol-5-yl)-3-methyl-N-pyridin-3-ylbutanamide.
What is the SMILES notation for 4-fluoro-N-(1H-indazol-5-yl)-3-methyl-N-pyridin-3-ylbutanamide?
The canonical SMILES for 4-fluoro-N-(1H-indazol-5-yl)-3-methyl-N-pyridin-3-ylbutanamide is CC(CF)CC(=O)N(c1cccnc1)c1ccc2[nH]ncc2c1.
What is the InChIKey of 4-fluoro-N-(1H-indazol-5-yl)-3-methyl-N-pyridin-3-ylbutanamide?
The InChIKey is KKCQPQPTGGOXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O/c1-12(9-18)7-17(23)22(15-3-2-6-19-11-15)14-4-5-16-13(8-14)10-20-21-16/h2-6,8,10-12H,7,9H2,1H3,(H,20,21).
What are the key properties of 4-fluoro-N-(1H-indazol-5-yl)-3-methyl-N-pyridin-3-ylbutanamide?
4-fluoro-N-(1H-indazol-5-yl)-3-methyl-N-pyridin-3-ylbutanamide has a molecular weight of 312.35 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(1H-indazol-5-yl)-3-methyl-N-pyridin-3-ylbutanamide is sourced from PubChem (CID 118948681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).