N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1-methylsulfonylpiperidine-4-carboxamide

C22H23N5O3S — CID 44540312

IUPACN-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)Nc2cc(-c3cccc4[nH]ccc34)cc3[nH]ncc23)CC1
InChIInChI=1S/C22H23N5O3S/c1-31(29,30)27-9-6-14(7-10-27)22(28)25-20-11-15(12-21-18(20)13-24-26-21)16-3-2-4-19-17(16)5-8-23-19/h2-5,8,11-14,23H,6-7,9-10H2,1H3,(H,24,26)(H,25,28)
InChIKeyPIAAWOJSUSUKCS-UHFFFAOYSA-N
MW437.53 g/mol
LogP3.32
Rot. Bonds4

About N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1-methylsulfonylpiperidine-4-carboxamide

N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 44540312) has the molecular formula C22H23N5O3S and a molecular weight of 437.53 g/mol. Its IUPAC name is N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID44540312
Molecular FormulaC22H23N5O3S
Molecular Weight437.53 g/mol
Exact Mass437.15
IUPAC NameN-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)Nc2cc(-c3cccc4[nH]ccc34)cc3[nH]ncc23)CC1
InChIInChI=1S/C22H23N5O3S/c1-31(29,30)27-9-6-14(7-10-27)22(28)25-20-11-15(12-21-18(20)13-24-26-21)16-3-2-4-19-17(16)5-8-23-19/h2-5,8,11-14,23H,6-7,9-10H2,1H3,(H,24,26)(H,25,28)
InChIKeyPIAAWOJSUSUKCS-UHFFFAOYSA-N
XLogP3.32
TPSA110.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.53
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1-methylsulfonylpiperidine-4-carboxamide (CID 44540312) is N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1-methylsulfonylpiperidine-4-carboxamide is CS(=O)(=O)N1CCC(C(=O)Nc2cc(-c3cccc4[nH]ccc34)cc3[nH]ncc23)CC1.
What is the InChIKey of N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is PIAAWOJSUSUKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3S/c1-31(29,30)27-9-6-14(7-10-27)22(28)25-20-11-15(12-21-18(20)13-24-26-21)16-3-2-4-19-17(16)5-8-23-19/h2-5,8,11-14,23H,6-7,9-10H2,1H3,(H,24,26)(H,25,28).
What are the key properties of N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1-methylsulfonylpiperidine-4-carboxamide?
N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 437.53 g/mol, XLogP of 3.32, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 44540312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).