methyl 6-chloro-7-[1,5-dimethyl-3-[[3-(methylsulfonyloxymethyl)-1-(oxan-2-ylmethyl)pyrazol-5-yl]methoxymethyl]pyrazol-4-yl]-1-methyl-3-(3-methylsulfonyloxypropyl)indole-2-carboxylate

C33H44ClN5O10S2 — CID 163832073

IUPACmethyl 6-chloro-7-[1,5-dimethyl-3-[[3-(methylsulfonyloxymethyl)-1-(oxan-2-ylmethyl)pyrazol-5-yl]methoxymethyl]pyrazol-4-yl]-1-methyl-3-(3-methylsulfonyloxypropyl)indole-2-carboxylate
SMILESCOC(=O)c1c(CCCOS(C)(=O)=O)c2ccc(Cl)c(-c3c(COCc4cc(COS(C)(=O)=O)nn4CC4CCCCO4)nn(C)c3C)c2n1C
InChIInChI=1S/C33H44ClN5O10S2/c1-21-29(30-27(34)13-12-26-25(11-9-15-48-50(5,41)42)32(33(40)45-4)37(2)31(26)30)28(36-38(21)3)20-46-19-23-16-22(18-49-51(6,43)44)35-39(23)17-24-10-7-8-14-47-24/h12-13,16,24H,7-11,14-15,17-20H2,1-6H3
InChIKeyOELPWCGRCAIRCK-UHFFFAOYSA-N
MW770.33 g/mol
LogP4.19
Rot. Bonds16

About methyl 6-chloro-7-[1,5-dimethyl-3-[[3-(methylsulfonyloxymethyl)-1-(oxan-2-ylmethyl)pyrazol-5-yl]methoxymethyl]pyrazol-4-yl]-1-methyl-3-(3-methylsulfonyloxypropyl)indole-2-carboxylate

methyl 6-chloro-7-[1,5-dimethyl-3-[[3-(methylsulfonyloxymethyl)-1-(oxan-2-ylmethyl)pyrazol-5-yl]methoxymethyl]pyrazol-4-yl]-1-methyl-3-(3-methylsulfonyloxypropyl)indole-2-carboxylate (PubChem CID 163832073) has the molecular formula C33H44ClN5O10S2 and a molecular weight of 770.33 g/mol. Its IUPAC name is methyl 6-chloro-7-[1,5-dimethyl-3-[[3-(methylsulfonyloxymethyl)-1-(oxan-2-ylmethyl)pyrazol-5-yl]methoxymethyl]pyrazol-4-yl]-1-methyl-3-(3-methylsulfonyloxypropyl)indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-chloro-7-[1,5-dimethyl-3-[[3-(methylsulfonyloxymethyl)-1-(oxan-2-ylmethyl)pyrazol-5-yl]methoxymethyl]pyrazol-4-yl]-1-methyl-3-(3-methylsulfonyloxypropyl)indole-2-carboxylate
PubChem CID163832073
Molecular FormulaC33H44ClN5O10S2
Molecular Weight770.33 g/mol
Exact Mass769.22
IUPAC Namemethyl 6-chloro-7-[1,5-dimethyl-3-[[3-(methylsulfonyloxymethyl)-1-(oxan-2-ylmethyl)pyrazol-5-yl]methoxymethyl]pyrazol-4-yl]-1-methyl-3-(3-methylsulfonyloxypropyl)indole-2-carboxylate
SMILESCOC(=O)c1c(CCCOS(C)(=O)=O)c2ccc(Cl)c(-c3c(COCc4cc(COS(C)(=O)=O)nn4CC4CCCCO4)nn(C)c3C)c2n1C
InChIInChI=1S/C33H44ClN5O10S2/c1-21-29(30-27(34)13-12-26-25(11-9-15-48-50(5,41)42)32(33(40)45-4)37(2)31(26)30)28(36-38(21)3)20-46-19-23-16-22(18-49-51(6,43)44)35-39(23)17-24-10-7-8-14-47-24/h12-13,16,24H,7-11,14-15,17-20H2,1-6H3
InChIKeyOELPWCGRCAIRCK-UHFFFAOYSA-N
XLogP4.19
TPSA172.07 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds16
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500770.33
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze methyl 6-chloro-7-[1,5-dimethyl-3-[[3-(methylsulfonyloxymethyl)-1-(oxan-2-ylmethyl)pyrazol-5-yl]methoxymethyl]pyrazol-4-yl]-1-methyl-3-(3-methylsulfonyloxypropyl)indole-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 6-chloro-7-[3-[[5-[(4-hydroxynaphthalen-2-yl)sulfanylmethyl]-1-(oxan-2-ylmethyl)pyrazol-3-yl]methoxymethyl]-1,5-dimethylpyrazol-4-yl]-1-methyl-3-(3-methylsulfonyloxypropyl)indole-2-carboxylate
CID 170069830
methyl 6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-methyl-7-(1,3,5-trimethylpyrazol-4-yl)indole-2-carboxylate
CID 166152696
6-chloro-7-[5-[[5-[2-(4-hydroxynaphthalen-2-yl)ethyl]-1-methylpyrazol-3-yl]methylsulfanylmethyl]-1-methyl-3-(oxan-2-yloxymethyl)pyrazol-4-yl]-1-methyl-3-(3-methylsulfonyloxypropyl)indole-2-carboxylic acid
CID 135346808
methyl 3-(3-tert-butylsulfanyloxypropyl)-6-ethyl-7-[3-[(5-formyl-1-methylpyrazol-3-yl)methoxymethyl]-5-methyl-1-(oxan-2-yl)pyrazol-4-yl]-1-methylindole-2-carboxylate
CID 162435950
methyl 6-chloro-7-[3-[[5-[(7-hydroxy-2,3-dihydro-1H-inden-5-yl)sulfanylmethyl]-1-methylpyrazol-3-yl]methylsulfanylmethyl]-1,5-dimethylpyrazol-4-yl]-3-(3-hydroxypropyl)-1-methylindole-2-carboxylate
CID 155257744
methyl 6-chloro-7-[3-[[[5-[(6-hydroxy-2,3-dihydro-1H-inden-4-yl)sulfanylmethyl]-1-methylpyrazol-3-yl]methyl-methylamino]methyl]-1,5-dimethylpyrazol-4-yl]-3-(3-methoxy-3-oxopropyl)-1-methylindole-2-carboxylate
CID 155257737
methyl 3-(3-acetyloxypropyl)-6-chloro-7-[3-(chloromethyl)-5-methyl-1H-pyrazol-4-yl]-1-methylindole-2-carboxylate
CID 168800907
methyl 6-chloro-7-[3-[[5-[(7-hydroxy-2,3-dihydro-1H-inden-5-yl)sulfanylmethyl]-1-methylpyrazol-3-yl]methylsulfanylmethyl]-1,5-dimethylpyrazol-4-yl]-3-(3-methoxy-3-oxopropyl)-1-methylindole-2-carboxylate
CID 155257743
methyl 3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-6-chloro-7-[5-ethyl-3-(hydroxymethyl)-1-methylpyrazol-4-yl]-1-methylindole-2-carboxylate
CID 169015767
methyl 3-(3-acetyloxypropyl)-6-chloro-7-[2-(iodomethyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1-methylindole-2-carboxylate
CID 156503064
methyl 3-(3-acetyloxypropyl)-6-chloro-7-[2-[[5-(hydroxymethyl)-1-methylpyrazol-3-yl]methylsulfanylmethyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1-methylindole-2-carboxylate
CID 162533101
6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-methyl-7-(1,3,5-trimethylpyrazol-4-yl)indole-2-carboxamide
CID 150878058

Frequently Asked Questions

What is the IUPAC name of methyl 6-chloro-7-[1,5-dimethyl-3-[[3-(methylsulfonyloxymethyl)-1-(oxan-2-ylmethyl)pyrazol-5-yl]methoxymethyl]pyrazol-4-yl]-1-methyl-3-(3-methylsulfonyloxypropyl)indole-2-carboxylate?
The IUPAC name of methyl 6-chloro-7-[1,5-dimethyl-3-[[3-(methylsulfonyloxymethyl)-1-(oxan-2-ylmethyl)pyrazol-5-yl]methoxymethyl]pyrazol-4-yl]-1-methyl-3-(3-methylsulfonyloxypropyl)indole-2-carboxylate (CID 163832073) is methyl 6-chloro-7-[1,5-dimethyl-3-[[3-(methylsulfonyloxymethyl)-1-(oxan-2-ylmethyl)pyrazol-5-yl]methoxymethyl]pyrazol-4-yl]-1-methyl-3-(3-methylsulfonyloxypropyl)indole-2-carboxylate.
What is the SMILES notation for methyl 6-chloro-7-[1,5-dimethyl-3-[[3-(methylsulfonyloxymethyl)-1-(oxan-2-ylmethyl)pyrazol-5-yl]methoxymethyl]pyrazol-4-yl]-1-methyl-3-(3-methylsulfonyloxypropyl)indole-2-carboxylate?
The canonical SMILES for methyl 6-chloro-7-[1,5-dimethyl-3-[[3-(methylsulfonyloxymethyl)-1-(oxan-2-ylmethyl)pyrazol-5-yl]methoxymethyl]pyrazol-4-yl]-1-methyl-3-(3-methylsulfonyloxypropyl)indole-2-carboxylate is COC(=O)c1c(CCCOS(C)(=O)=O)c2ccc(Cl)c(-c3c(COCc4cc(COS(C)(=O)=O)nn4CC4CCCCO4)nn(C)c3C)c2n1C.
What is the InChIKey of methyl 6-chloro-7-[1,5-dimethyl-3-[[3-(methylsulfonyloxymethyl)-1-(oxan-2-ylmethyl)pyrazol-5-yl]methoxymethyl]pyrazol-4-yl]-1-methyl-3-(3-methylsulfonyloxypropyl)indole-2-carboxylate?
The InChIKey is OELPWCGRCAIRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H44ClN5O10S2/c1-21-29(30-27(34)13-12-26-25(11-9-15-48-50(5,41)42)32(33(40)45-4)37(2)31(26)30)28(36-38(21)3)20-46-19-23-16-22(18-49-51(6,43)44)35-39(23)17-24-10-7-8-14-47-24/h12-13,16,24H,7-11,14-15,17-20H2,1-6H3.
What are the key properties of methyl 6-chloro-7-[1,5-dimethyl-3-[[3-(methylsulfonyloxymethyl)-1-(oxan-2-ylmethyl)pyrazol-5-yl]methoxymethyl]pyrazol-4-yl]-1-methyl-3-(3-methylsulfonyloxypropyl)indole-2-carboxylate?
methyl 6-chloro-7-[1,5-dimethyl-3-[[3-(methylsulfonyloxymethyl)-1-(oxan-2-ylmethyl)pyrazol-5-yl]methoxymethyl]pyrazol-4-yl]-1-methyl-3-(3-methylsulfonyloxypropyl)indole-2-carboxylate has a molecular weight of 770.33 g/mol, XLogP of 4.19, 16 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-chloro-7-[1,5-dimethyl-3-[[3-(methylsulfonyloxymethyl)-1-(oxan-2-ylmethyl)pyrazol-5-yl]methoxymethyl]pyrazol-4-yl]-1-methyl-3-(3-methylsulfonyloxypropyl)indole-2-carboxylate is sourced from PubChem (CID 163832073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).