3-(ethylamino)-5-[1-[(4-fluorophenyl)methyl]indazol-6-yl]-1-methylpyridin-2-one

C22H21FN4O — CID 155534471

IUPAC3-(ethylamino)-5-[1-[(4-fluorophenyl)methyl]indazol-6-yl]-1-methylpyridin-2-one
SMILESCCNc1cc(-c2ccc3cnn(Cc4ccc(F)cc4)c3c2)cn(C)c1=O
InChIInChI=1S/C22H21FN4O/c1-3-24-20-10-18(14-26(2)22(20)28)16-6-7-17-12-25-27(21(17)11-16)13-15-4-8-19(23)9-5-15/h4-12,14,24H,3,13H2,1-2H3
InChIKeyZRWSMVMSSVRALA-UHFFFAOYSA-N
MW376.44 g/mol
LogP4.02
Rot. Bonds5

About 3-(ethylamino)-5-[1-[(4-fluorophenyl)methyl]indazol-6-yl]-1-methylpyridin-2-one

3-(ethylamino)-5-[1-[(4-fluorophenyl)methyl]indazol-6-yl]-1-methylpyridin-2-one (PubChem CID 155534471) has the molecular formula C22H21FN4O and a molecular weight of 376.44 g/mol. Its IUPAC name is 3-(ethylamino)-5-[1-[(4-fluorophenyl)methyl]indazol-6-yl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name3-(ethylamino)-5-[1-[(4-fluorophenyl)methyl]indazol-6-yl]-1-methylpyridin-2-one
PubChem CID155534471
Molecular FormulaC22H21FN4O
Molecular Weight376.44 g/mol
Exact Mass376.17
IUPAC Name3-(ethylamino)-5-[1-[(4-fluorophenyl)methyl]indazol-6-yl]-1-methylpyridin-2-one
SMILESCCNc1cc(-c2ccc3cnn(Cc4ccc(F)cc4)c3c2)cn(C)c1=O
InChIInChI=1S/C22H21FN4O/c1-3-24-20-10-18(14-26(2)22(20)28)16-6-7-17-12-25-27(21(17)11-16)13-15-4-8-19(23)9-5-15/h4-12,14,24H,3,13H2,1-2H3
InChIKeyZRWSMVMSSVRALA-UHFFFAOYSA-N
XLogP4.02
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-5-[1-[(4-fluorophenyl)methyl]indazol-6-yl]-1-methylpyridin-2-one?
The IUPAC name of 3-(ethylamino)-5-[1-[(4-fluorophenyl)methyl]indazol-6-yl]-1-methylpyridin-2-one (CID 155534471) is 3-(ethylamino)-5-[1-[(4-fluorophenyl)methyl]indazol-6-yl]-1-methylpyridin-2-one.
What is the SMILES notation for 3-(ethylamino)-5-[1-[(4-fluorophenyl)methyl]indazol-6-yl]-1-methylpyridin-2-one?
The canonical SMILES for 3-(ethylamino)-5-[1-[(4-fluorophenyl)methyl]indazol-6-yl]-1-methylpyridin-2-one is CCNc1cc(-c2ccc3cnn(Cc4ccc(F)cc4)c3c2)cn(C)c1=O.
What is the InChIKey of 3-(ethylamino)-5-[1-[(4-fluorophenyl)methyl]indazol-6-yl]-1-methylpyridin-2-one?
The InChIKey is ZRWSMVMSSVRALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O/c1-3-24-20-10-18(14-26(2)22(20)28)16-6-7-17-12-25-27(21(17)11-16)13-15-4-8-19(23)9-5-15/h4-12,14,24H,3,13H2,1-2H3.
What are the key properties of 3-(ethylamino)-5-[1-[(4-fluorophenyl)methyl]indazol-6-yl]-1-methylpyridin-2-one?
3-(ethylamino)-5-[1-[(4-fluorophenyl)methyl]indazol-6-yl]-1-methylpyridin-2-one has a molecular weight of 376.44 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-5-[1-[(4-fluorophenyl)methyl]indazol-6-yl]-1-methylpyridin-2-one is sourced from PubChem (CID 155534471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).