3-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-5-phenyl-2H-indazole-7-carboxamide

C23H24N6O3S — CID 59022790

IUPAC3-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-5-phenyl-2H-indazole-7-carboxamide
SMILESCn1cnc(S(=O)(=O)N2CCC(c3[nH]nc4c(C(N)=O)cc(-c5ccccc5)cc34)CC2)c1
InChIInChI=1S/C23H24N6O3S/c1-28-13-20(25-14-28)33(31,32)29-9-7-16(8-10-29)21-18-11-17(15-5-3-2-4-6-15)12-19(23(24)30)22(18)27-26-21/h2-6,11-14,16H,7-10H2,1H3,(H2,24,30)(H,26,27)
InChIKeyYXQBQWPDRYQFAV-UHFFFAOYSA-N
MW464.55 g/mol
LogP2.63
Rot. Bonds5

About 3-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-5-phenyl-2H-indazole-7-carboxamide

3-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-5-phenyl-2H-indazole-7-carboxamide (PubChem CID 59022790) has the molecular formula C23H24N6O3S and a molecular weight of 464.55 g/mol. Its IUPAC name is 3-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-5-phenyl-2H-indazole-7-carboxamide.

Molecular Properties

Compound Name3-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-5-phenyl-2H-indazole-7-carboxamide
PubChem CID59022790
Molecular FormulaC23H24N6O3S
Molecular Weight464.55 g/mol
Exact Mass464.16
IUPAC Name3-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-5-phenyl-2H-indazole-7-carboxamide
SMILESCn1cnc(S(=O)(=O)N2CCC(c3[nH]nc4c(C(N)=O)cc(-c5ccccc5)cc34)CC2)c1
InChIInChI=1S/C23H24N6O3S/c1-28-13-20(25-14-28)33(31,32)29-9-7-16(8-10-29)21-18-11-17(15-5-3-2-4-6-15)12-19(23(24)30)22(18)27-26-21/h2-6,11-14,16H,7-10H2,1H3,(H2,24,30)(H,26,27)
InChIKeyYXQBQWPDRYQFAV-UHFFFAOYSA-N
XLogP2.63
TPSA126.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.55
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-5-phenyl-2H-indazole-7-carboxamide?
The IUPAC name of 3-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-5-phenyl-2H-indazole-7-carboxamide (CID 59022790) is 3-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-5-phenyl-2H-indazole-7-carboxamide.
What is the SMILES notation for 3-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-5-phenyl-2H-indazole-7-carboxamide?
The canonical SMILES for 3-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-5-phenyl-2H-indazole-7-carboxamide is Cn1cnc(S(=O)(=O)N2CCC(c3[nH]nc4c(C(N)=O)cc(-c5ccccc5)cc34)CC2)c1.
What is the InChIKey of 3-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-5-phenyl-2H-indazole-7-carboxamide?
The InChIKey is YXQBQWPDRYQFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O3S/c1-28-13-20(25-14-28)33(31,32)29-9-7-16(8-10-29)21-18-11-17(15-5-3-2-4-6-15)12-19(23(24)30)22(18)27-26-21/h2-6,11-14,16H,7-10H2,1H3,(H2,24,30)(H,26,27).
What are the key properties of 3-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-5-phenyl-2H-indazole-7-carboxamide?
3-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-5-phenyl-2H-indazole-7-carboxamide has a molecular weight of 464.55 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-5-phenyl-2H-indazole-7-carboxamide is sourced from PubChem (CID 59022790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).