5-(3-fluorophenyl)-3-[1-[3-(4-piperidin-1-ylpiperidin-1-yl)propylsulfonyl]piperidin-4-yl]-2H-indazole-7-carboxamide

C32H43FN6O3S — CID 59022798

IUPAC5-(3-fluorophenyl)-3-[1-[3-(4-piperidin-1-ylpiperidin-1-yl)propylsulfonyl]piperidin-4-yl]-2H-indazole-7-carboxamide
SMILESNC(=O)c1cc(-c2cccc(F)c2)cc2c(C3CCN(S(=O)(=O)CCCN4CCC(N5CCCCC5)CC4)CC3)[nH]nc12
InChIInChI=1S/C32H43FN6O3S/c33-26-7-4-6-24(20-26)25-21-28-30(35-36-31(28)29(22-25)32(34)40)23-8-17-39(18-9-23)43(41,42)19-5-12-37-15-10-27(11-16-37)38-13-2-1-3-14-38/h4,6-7,20-23,27H,1-3,5,8-19H2,(H2,34,40)(H,35,36)
InChIKeyAUFCRUKXRLTZFD-UHFFFAOYSA-N
MW610.80 g/mol
LogP4.32
Rot. Bonds9

About 5-(3-fluorophenyl)-3-[1-[3-(4-piperidin-1-ylpiperidin-1-yl)propylsulfonyl]piperidin-4-yl]-2H-indazole-7-carboxamide

5-(3-fluorophenyl)-3-[1-[3-(4-piperidin-1-ylpiperidin-1-yl)propylsulfonyl]piperidin-4-yl]-2H-indazole-7-carboxamide (PubChem CID 59022798) has the molecular formula C32H43FN6O3S and a molecular weight of 610.80 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-3-[1-[3-(4-piperidin-1-ylpiperidin-1-yl)propylsulfonyl]piperidin-4-yl]-2H-indazole-7-carboxamide.

Molecular Properties

Compound Name5-(3-fluorophenyl)-3-[1-[3-(4-piperidin-1-ylpiperidin-1-yl)propylsulfonyl]piperidin-4-yl]-2H-indazole-7-carboxamide
PubChem CID59022798
Molecular FormulaC32H43FN6O3S
Molecular Weight610.80 g/mol
Exact Mass610.31
IUPAC Name5-(3-fluorophenyl)-3-[1-[3-(4-piperidin-1-ylpiperidin-1-yl)propylsulfonyl]piperidin-4-yl]-2H-indazole-7-carboxamide
SMILESNC(=O)c1cc(-c2cccc(F)c2)cc2c(C3CCN(S(=O)(=O)CCCN4CCC(N5CCCCC5)CC4)CC3)[nH]nc12
InChIInChI=1S/C32H43FN6O3S/c33-26-7-4-6-24(20-26)25-21-28-30(35-36-31(28)29(22-25)32(34)40)23-8-17-39(18-9-23)43(41,42)19-5-12-37-15-10-27(11-16-37)38-13-2-1-3-14-38/h4,6-7,20-23,27H,1-3,5,8-19H2,(H2,34,40)(H,35,36)
InChIKeyAUFCRUKXRLTZFD-UHFFFAOYSA-N
XLogP4.32
TPSA115.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500610.80
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-3-[1-[3-(4-piperidin-1-ylpiperidin-1-yl)propylsulfonyl]piperidin-4-yl]-2H-indazole-7-carboxamide?
The IUPAC name of 5-(3-fluorophenyl)-3-[1-[3-(4-piperidin-1-ylpiperidin-1-yl)propylsulfonyl]piperidin-4-yl]-2H-indazole-7-carboxamide (CID 59022798) is 5-(3-fluorophenyl)-3-[1-[3-(4-piperidin-1-ylpiperidin-1-yl)propylsulfonyl]piperidin-4-yl]-2H-indazole-7-carboxamide.
What is the SMILES notation for 5-(3-fluorophenyl)-3-[1-[3-(4-piperidin-1-ylpiperidin-1-yl)propylsulfonyl]piperidin-4-yl]-2H-indazole-7-carboxamide?
The canonical SMILES for 5-(3-fluorophenyl)-3-[1-[3-(4-piperidin-1-ylpiperidin-1-yl)propylsulfonyl]piperidin-4-yl]-2H-indazole-7-carboxamide is NC(=O)c1cc(-c2cccc(F)c2)cc2c(C3CCN(S(=O)(=O)CCCN4CCC(N5CCCCC5)CC4)CC3)[nH]nc12.
What is the InChIKey of 5-(3-fluorophenyl)-3-[1-[3-(4-piperidin-1-ylpiperidin-1-yl)propylsulfonyl]piperidin-4-yl]-2H-indazole-7-carboxamide?
The InChIKey is AUFCRUKXRLTZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H43FN6O3S/c33-26-7-4-6-24(20-26)25-21-28-30(35-36-31(28)29(22-25)32(34)40)23-8-17-39(18-9-23)43(41,42)19-5-12-37-15-10-27(11-16-37)38-13-2-1-3-14-38/h4,6-7,20-23,27H,1-3,5,8-19H2,(H2,34,40)(H,35,36).
What are the key properties of 5-(3-fluorophenyl)-3-[1-[3-(4-piperidin-1-ylpiperidin-1-yl)propylsulfonyl]piperidin-4-yl]-2H-indazole-7-carboxamide?
5-(3-fluorophenyl)-3-[1-[3-(4-piperidin-1-ylpiperidin-1-yl)propylsulfonyl]piperidin-4-yl]-2H-indazole-7-carboxamide has a molecular weight of 610.80 g/mol, XLogP of 4.32, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-3-[1-[3-(4-piperidin-1-ylpiperidin-1-yl)propylsulfonyl]piperidin-4-yl]-2H-indazole-7-carboxamide is sourced from PubChem (CID 59022798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).