1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4-(1-propylpyrazol-4-yl)sulfonylpiperazin-2-one

C24H25FN6O3S — CID 166916318

IUPAC1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4-(1-propylpyrazol-4-yl)sulfonylpiperazin-2-one
SMILESCCCn1cc(S(=O)(=O)N2CCN(c3cc4cnn(-c5ccc(F)cc5)c4cc3C)C(=O)C2)cn1
InChIInChI=1S/C24H25FN6O3S/c1-3-8-28-15-21(14-26-28)35(33,34)29-9-10-30(24(32)16-29)22-12-18-13-27-31(23(18)11-17(22)2)20-6-4-19(25)5-7-20/h4-7,11-15H,3,8-10,16H2,1-2H3
InChIKeyBELNYOGIGLLLEM-UHFFFAOYSA-N
MW496.57 g/mol
LogP3.12
Rot. Bonds6

About 1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4-(1-propylpyrazol-4-yl)sulfonylpiperazin-2-one

1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4-(1-propylpyrazol-4-yl)sulfonylpiperazin-2-one (PubChem CID 166916318) has the molecular formula C24H25FN6O3S and a molecular weight of 496.57 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4-(1-propylpyrazol-4-yl)sulfonylpiperazin-2-one.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4-(1-propylpyrazol-4-yl)sulfonylpiperazin-2-one
PubChem CID166916318
Molecular FormulaC24H25FN6O3S
Molecular Weight496.57 g/mol
Exact Mass496.17
IUPAC Name1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4-(1-propylpyrazol-4-yl)sulfonylpiperazin-2-one
SMILESCCCn1cc(S(=O)(=O)N2CCN(c3cc4cnn(-c5ccc(F)cc5)c4cc3C)C(=O)C2)cn1
InChIInChI=1S/C24H25FN6O3S/c1-3-8-28-15-21(14-26-28)35(33,34)29-9-10-30(24(32)16-29)22-12-18-13-27-31(23(18)11-17(22)2)20-6-4-19(25)5-7-20/h4-7,11-15H,3,8-10,16H2,1-2H3
InChIKeyBELNYOGIGLLLEM-UHFFFAOYSA-N
XLogP3.12
TPSA93.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.57
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4-(1-propylpyrazol-4-yl)sulfonylpiperazin-2-one?
The IUPAC name of 1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4-(1-propylpyrazol-4-yl)sulfonylpiperazin-2-one (CID 166916318) is 1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4-(1-propylpyrazol-4-yl)sulfonylpiperazin-2-one.
What is the SMILES notation for 1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4-(1-propylpyrazol-4-yl)sulfonylpiperazin-2-one?
The canonical SMILES for 1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4-(1-propylpyrazol-4-yl)sulfonylpiperazin-2-one is CCCn1cc(S(=O)(=O)N2CCN(c3cc4cnn(-c5ccc(F)cc5)c4cc3C)C(=O)C2)cn1.
What is the InChIKey of 1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4-(1-propylpyrazol-4-yl)sulfonylpiperazin-2-one?
The InChIKey is BELNYOGIGLLLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6O3S/c1-3-8-28-15-21(14-26-28)35(33,34)29-9-10-30(24(32)16-29)22-12-18-13-27-31(23(18)11-17(22)2)20-6-4-19(25)5-7-20/h4-7,11-15H,3,8-10,16H2,1-2H3.
What are the key properties of 1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4-(1-propylpyrazol-4-yl)sulfonylpiperazin-2-one?
1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4-(1-propylpyrazol-4-yl)sulfonylpiperazin-2-one has a molecular weight of 496.57 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4-(1-propylpyrazol-4-yl)sulfonylpiperazin-2-one is sourced from PubChem (CID 166916318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).