4-(2,2-dioxo-1,4-dihydro-2λ6,1,3-benzothiadiazin-3-yl)-N-[3-(7-ethyl-1H-indazol-5-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide

C35H48N8O4S — CID 58900863

IUPAC4-(2,2-dioxo-1,4-dihydro-2λ6,1,3-benzothiadiazin-3-yl)-N-[3-(7-ethyl-1H-indazol-5-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide
SMILESCCc1cc(CC(NC(=O)N2CCC(N3Cc4ccccc4NS3(=O)=O)CC2)C(=O)N2CCC(N3CCCCC3)CC2)cc2cn[nH]c12
InChIInChI=1S/C35H48N8O4S/c1-2-26-20-25(21-28-23-36-38-33(26)28)22-32(34(44)41-16-10-29(11-17-41)40-14-6-3-7-15-40)37-35(45)42-18-12-30(13-19-42)43-24-27-8-4-5-9-31(27)39-48(43,46)47/h4-5,8-9,20-21,23,29-30,32,39H,2-3,6-7,10-19,22,24H2,1H3,(H,36,38)(H,37,45)
InChIKeyATKCQVOECGXIEO-UHFFFAOYSA-N
MW676.89 g/mol
LogP3.86
Rot. Bonds7

About 4-(2,2-dioxo-1,4-dihydro-2λ6,1,3-benzothiadiazin-3-yl)-N-[3-(7-ethyl-1H-indazol-5-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide

4-(2,2-dioxo-1,4-dihydro-2λ6,1,3-benzothiadiazin-3-yl)-N-[3-(7-ethyl-1H-indazol-5-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide (PubChem CID 58900863) has the molecular formula C35H48N8O4S and a molecular weight of 676.89 g/mol. Its IUPAC name is 4-(2,2-dioxo-1,4-dihydro-2λ6,1,3-benzothiadiazin-3-yl)-N-[3-(7-ethyl-1H-indazol-5-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(2,2-dioxo-1,4-dihydro-2λ6,1,3-benzothiadiazin-3-yl)-N-[3-(7-ethyl-1H-indazol-5-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide
PubChem CID58900863
Molecular FormulaC35H48N8O4S
Molecular Weight676.89 g/mol
Exact Mass676.35
IUPAC Name4-(2,2-dioxo-1,4-dihydro-2λ6,1,3-benzothiadiazin-3-yl)-N-[3-(7-ethyl-1H-indazol-5-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide
SMILESCCc1cc(CC(NC(=O)N2CCC(N3Cc4ccccc4NS3(=O)=O)CC2)C(=O)N2CCC(N3CCCCC3)CC2)cc2cn[nH]c12
InChIInChI=1S/C35H48N8O4S/c1-2-26-20-25(21-28-23-36-38-33(26)28)22-32(34(44)41-16-10-29(11-17-41)40-14-6-3-7-15-40)37-35(45)42-18-12-30(13-19-42)43-24-27-8-4-5-9-31(27)39-48(43,46)47/h4-5,8-9,20-21,23,29-30,32,39H,2-3,6-7,10-19,22,24H2,1H3,(H,36,38)(H,37,45)
InChIKeyATKCQVOECGXIEO-UHFFFAOYSA-N
XLogP3.86
TPSA133.98 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500676.89
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-(2,2-dioxo-1,4-dihydro-2λ6,1,3-benzothiadiazin-3-yl)-N-[3-(7-ethyl-1H-indazol-5-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[3-(7-ethyl-1H-indazol-5-yl)-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1-oxopropan-2-yl]-4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxamide
CID 11273879
N-[3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 10077700
N-[(2R)-3-(1H-indazol-5-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 24863333
N-[1-[4-(4-fluorocyclohexyl)piperazin-1-yl]-3-(7-methyl-1H-indazol-5-yl)-1-oxopropan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 58984821
N-[3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(8-piperidin-4-yl-2,8-diazaspiro[4.5]decan-2-yl)propan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 135347359
4-[3,5-bis(trifluoromethyl)phenyl]-N-[(2R)-3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperazine-1-carboxamide
CID 127027501
N-[3-(3,7-dimethyl-2H-indazol-5-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 58901615
N-[(2R)-3-(3,5-dibromo-4-hydroxyphenyl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 22945375
2-[(7-ethyl-1H-indazol-5-yl)methyl]-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]butane-1,4-dione
CID 11181432
4-(2-fluoro-4-methylsulfonylphenyl)-N-[(2R)-3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperazine-1-carboxamide
CID 127028121
N-[3-(7-methyl-1H-indazol-5-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
CID 175525696
2-[4-[1-[3-(7-methyl-1H-indazol-5-yl)-2-[[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carbonyl]amino]propanoyl]piperidin-4-yl]piperidin-1-yl]acetate
CID 18452037

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dioxo-1,4-dihydro-2λ6,1,3-benzothiadiazin-3-yl)-N-[3-(7-ethyl-1H-indazol-5-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide?
The IUPAC name of 4-(2,2-dioxo-1,4-dihydro-2λ6,1,3-benzothiadiazin-3-yl)-N-[3-(7-ethyl-1H-indazol-5-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide (CID 58900863) is 4-(2,2-dioxo-1,4-dihydro-2λ6,1,3-benzothiadiazin-3-yl)-N-[3-(7-ethyl-1H-indazol-5-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(2,2-dioxo-1,4-dihydro-2λ6,1,3-benzothiadiazin-3-yl)-N-[3-(7-ethyl-1H-indazol-5-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide?
The canonical SMILES for 4-(2,2-dioxo-1,4-dihydro-2λ6,1,3-benzothiadiazin-3-yl)-N-[3-(7-ethyl-1H-indazol-5-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide is CCc1cc(CC(NC(=O)N2CCC(N3Cc4ccccc4NS3(=O)=O)CC2)C(=O)N2CCC(N3CCCCC3)CC2)cc2cn[nH]c12.
What is the InChIKey of 4-(2,2-dioxo-1,4-dihydro-2λ6,1,3-benzothiadiazin-3-yl)-N-[3-(7-ethyl-1H-indazol-5-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide?
The InChIKey is ATKCQVOECGXIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H48N8O4S/c1-2-26-20-25(21-28-23-36-38-33(26)28)22-32(34(44)41-16-10-29(11-17-41)40-14-6-3-7-15-40)37-35(45)42-18-12-30(13-19-42)43-24-27-8-4-5-9-31(27)39-48(43,46)47/h4-5,8-9,20-21,23,29-30,32,39H,2-3,6-7,10-19,22,24H2,1H3,(H,36,38)(H,37,45).
What are the key properties of 4-(2,2-dioxo-1,4-dihydro-2λ6,1,3-benzothiadiazin-3-yl)-N-[3-(7-ethyl-1H-indazol-5-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide?
4-(2,2-dioxo-1,4-dihydro-2λ6,1,3-benzothiadiazin-3-yl)-N-[3-(7-ethyl-1H-indazol-5-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide has a molecular weight of 676.89 g/mol, XLogP of 3.86, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dioxo-1,4-dihydro-2λ6,1,3-benzothiadiazin-3-yl)-N-[3-(7-ethyl-1H-indazol-5-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 58900863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).