6-(1-ethyl-4-fluoroindazol-6-yl)-3-[3-(1H-1,2,4-triazol-5-yl)pentan-3-yl]-1H-pyridin-2-one

C21H23FN6O — CID 137477590

IUPAC6-(1-ethyl-4-fluoroindazol-6-yl)-3-[3-(1H-1,2,4-triazol-5-yl)pentan-3-yl]-1H-pyridin-2-one
SMILESCCn1ncc2c(F)cc(-c3ccc(C(CC)(CC)c4ncn[nH]4)c(=O)[nH]3)cc21
InChIInChI=1S/C21H23FN6O/c1-4-21(5-2,20-23-12-24-27-20)15-7-8-17(26-19(15)29)13-9-16(22)14-11-25-28(6-3)18(14)10-13/h7-12H,4-6H2,1-3H3,(H,26,29)(H,23,24,27)
InChIKeyOZURCRPUMJSFFQ-UHFFFAOYSA-N
MW394.45 g/mol
LogP3.77
Rot. Bonds6

About 6-(1-ethyl-4-fluoroindazol-6-yl)-3-[3-(1H-1,2,4-triazol-5-yl)pentan-3-yl]-1H-pyridin-2-one

6-(1-ethyl-4-fluoroindazol-6-yl)-3-[3-(1H-1,2,4-triazol-5-yl)pentan-3-yl]-1H-pyridin-2-one (PubChem CID 137477590) has the molecular formula C21H23FN6O and a molecular weight of 394.45 g/mol. Its IUPAC name is 6-(1-ethyl-4-fluoroindazol-6-yl)-3-[3-(1H-1,2,4-triazol-5-yl)pentan-3-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(1-ethyl-4-fluoroindazol-6-yl)-3-[3-(1H-1,2,4-triazol-5-yl)pentan-3-yl]-1H-pyridin-2-one
PubChem CID137477590
Molecular FormulaC21H23FN6O
Molecular Weight394.45 g/mol
Exact Mass394.19
IUPAC Name6-(1-ethyl-4-fluoroindazol-6-yl)-3-[3-(1H-1,2,4-triazol-5-yl)pentan-3-yl]-1H-pyridin-2-one
SMILESCCn1ncc2c(F)cc(-c3ccc(C(CC)(CC)c4ncn[nH]4)c(=O)[nH]3)cc21
InChIInChI=1S/C21H23FN6O/c1-4-21(5-2,20-23-12-24-27-20)15-7-8-17(26-19(15)29)13-9-16(22)14-11-25-28(6-3)18(14)10-13/h7-12H,4-6H2,1-3H3,(H,26,29)(H,23,24,27)
InChIKeyOZURCRPUMJSFFQ-UHFFFAOYSA-N
XLogP3.77
TPSA92.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(1-ethyl-4-fluoroindazol-6-yl)-3-[3-(1H-1,2,4-triazol-5-yl)pentan-3-yl]-1H-pyridin-2-one?
The IUPAC name of 6-(1-ethyl-4-fluoroindazol-6-yl)-3-[3-(1H-1,2,4-triazol-5-yl)pentan-3-yl]-1H-pyridin-2-one (CID 137477590) is 6-(1-ethyl-4-fluoroindazol-6-yl)-3-[3-(1H-1,2,4-triazol-5-yl)pentan-3-yl]-1H-pyridin-2-one.
What is the SMILES notation for 6-(1-ethyl-4-fluoroindazol-6-yl)-3-[3-(1H-1,2,4-triazol-5-yl)pentan-3-yl]-1H-pyridin-2-one?
The canonical SMILES for 6-(1-ethyl-4-fluoroindazol-6-yl)-3-[3-(1H-1,2,4-triazol-5-yl)pentan-3-yl]-1H-pyridin-2-one is CCn1ncc2c(F)cc(-c3ccc(C(CC)(CC)c4ncn[nH]4)c(=O)[nH]3)cc21.
What is the InChIKey of 6-(1-ethyl-4-fluoroindazol-6-yl)-3-[3-(1H-1,2,4-triazol-5-yl)pentan-3-yl]-1H-pyridin-2-one?
The InChIKey is OZURCRPUMJSFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN6O/c1-4-21(5-2,20-23-12-24-27-20)15-7-8-17(26-19(15)29)13-9-16(22)14-11-25-28(6-3)18(14)10-13/h7-12H,4-6H2,1-3H3,(H,26,29)(H,23,24,27).
What are the key properties of 6-(1-ethyl-4-fluoroindazol-6-yl)-3-[3-(1H-1,2,4-triazol-5-yl)pentan-3-yl]-1H-pyridin-2-one?
6-(1-ethyl-4-fluoroindazol-6-yl)-3-[3-(1H-1,2,4-triazol-5-yl)pentan-3-yl]-1H-pyridin-2-one has a molecular weight of 394.45 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-ethyl-4-fluoroindazol-6-yl)-3-[3-(1H-1,2,4-triazol-5-yl)pentan-3-yl]-1H-pyridin-2-one is sourced from PubChem (CID 137477590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).