3-(dimethylsulfamoyl)-2-methoxy-4-[8-[3-(methoxymethyl)-4-methylpiperazin-1-yl]-7,10-dimethyl-5-oxo-2,4-dihydro-1H-chromeno[3,4-c]pyridine-3-carbonyl]-6-pyrrolidin-1-ylbenzamide

C36H48N6O8S — CID 177115430

IUPAC3-(dimethylsulfamoyl)-2-methoxy-4-[8-[3-(methoxymethyl)-4-methylpiperazin-1-yl]-7,10-dimethyl-5-oxo-2,4-dihydro-1H-chromeno[3,4-c]pyridine-3-carbonyl]-6-pyrrolidin-1-ylbenzamide
SMILESCOCC1CN(c2cc(C)c3c4c(c(=O)oc3c2C)CN(C(=O)c2cc(N3CCCC3)c(C(N)=O)c(OC)c2S(=O)(=O)N(C)C)CC4)CCN1C
InChIInChI=1S/C36H48N6O8S/c1-21-16-27(41-15-14-39(5)23(18-41)20-48-6)22(2)31-29(21)24-10-13-42(19-26(24)36(45)50-31)35(44)25-17-28(40-11-8-9-12-40)30(34(37)43)32(49-7)33(25)51(46,47)38(3)4/h16-17,23H,8-15,18-20H2,1-7H3,(H2,37,43)
InChIKeySNFYZRDHBIOKBG-UHFFFAOYSA-N
MW724.88 g/mol
LogP2.33
Rot. Bonds9

About 3-(dimethylsulfamoyl)-2-methoxy-4-[8-[3-(methoxymethyl)-4-methylpiperazin-1-yl]-7,10-dimethyl-5-oxo-2,4-dihydro-1H-chromeno[3,4-c]pyridine-3-carbonyl]-6-pyrrolidin-1-ylbenzamide

3-(dimethylsulfamoyl)-2-methoxy-4-[8-[3-(methoxymethyl)-4-methylpiperazin-1-yl]-7,10-dimethyl-5-oxo-2,4-dihydro-1H-chromeno[3,4-c]pyridine-3-carbonyl]-6-pyrrolidin-1-ylbenzamide (PubChem CID 177115430) has the molecular formula C36H48N6O8S and a molecular weight of 724.88 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-2-methoxy-4-[8-[3-(methoxymethyl)-4-methylpiperazin-1-yl]-7,10-dimethyl-5-oxo-2,4-dihydro-1H-chromeno[3,4-c]pyridine-3-carbonyl]-6-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-2-methoxy-4-[8-[3-(methoxymethyl)-4-methylpiperazin-1-yl]-7,10-dimethyl-5-oxo-2,4-dihydro-1H-chromeno[3,4-c]pyridine-3-carbonyl]-6-pyrrolidin-1-ylbenzamide
PubChem CID177115430
Molecular FormulaC36H48N6O8S
Molecular Weight724.88 g/mol
Exact Mass724.33
IUPAC Name3-(dimethylsulfamoyl)-2-methoxy-4-[8-[3-(methoxymethyl)-4-methylpiperazin-1-yl]-7,10-dimethyl-5-oxo-2,4-dihydro-1H-chromeno[3,4-c]pyridine-3-carbonyl]-6-pyrrolidin-1-ylbenzamide
SMILESCOCC1CN(c2cc(C)c3c4c(c(=O)oc3c2C)CN(C(=O)c2cc(N3CCCC3)c(C(N)=O)c(OC)c2S(=O)(=O)N(C)C)CC4)CCN1C
InChIInChI=1S/C36H48N6O8S/c1-21-16-27(41-15-14-39(5)23(18-41)20-48-6)22(2)31-29(21)24-10-13-42(19-26(24)36(45)50-31)35(44)25-17-28(40-11-8-9-12-40)30(34(37)43)32(49-7)33(25)51(46,47)38(3)4/h16-17,23H,8-15,18-20H2,1-7H3,(H2,37,43)
InChIKeySNFYZRDHBIOKBG-UHFFFAOYSA-N
XLogP2.33
TPSA159.17 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500724.88
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze 3-(dimethylsulfamoyl)-2-methoxy-4-[8-[3-(methoxymethyl)-4-methylpiperazin-1-yl]-7,10-dimethyl-5-oxo-2,4-dihydro-1H-chromeno[3,4-c]pyridine-3-carbonyl]-6-pyrrolidin-1-ylbenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-2-methoxy-4-[8-[3-(methoxymethyl)-4-methylpiperazin-1-yl]-7,10-dimethyl-5-oxo-2,4-dihydro-1H-chromeno[3,4-c]pyridine-3-carbonyl]-6-pyrrolidin-1-ylbenzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-2-methoxy-4-[8-[3-(methoxymethyl)-4-methylpiperazin-1-yl]-7,10-dimethyl-5-oxo-2,4-dihydro-1H-chromeno[3,4-c]pyridine-3-carbonyl]-6-pyrrolidin-1-ylbenzamide (CID 177115430) is 3-(dimethylsulfamoyl)-2-methoxy-4-[8-[3-(methoxymethyl)-4-methylpiperazin-1-yl]-7,10-dimethyl-5-oxo-2,4-dihydro-1H-chromeno[3,4-c]pyridine-3-carbonyl]-6-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-2-methoxy-4-[8-[3-(methoxymethyl)-4-methylpiperazin-1-yl]-7,10-dimethyl-5-oxo-2,4-dihydro-1H-chromeno[3,4-c]pyridine-3-carbonyl]-6-pyrrolidin-1-ylbenzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-2-methoxy-4-[8-[3-(methoxymethyl)-4-methylpiperazin-1-yl]-7,10-dimethyl-5-oxo-2,4-dihydro-1H-chromeno[3,4-c]pyridine-3-carbonyl]-6-pyrrolidin-1-ylbenzamide is COCC1CN(c2cc(C)c3c4c(c(=O)oc3c2C)CN(C(=O)c2cc(N3CCCC3)c(C(N)=O)c(OC)c2S(=O)(=O)N(C)C)CC4)CCN1C.
What is the InChIKey of 3-(dimethylsulfamoyl)-2-methoxy-4-[8-[3-(methoxymethyl)-4-methylpiperazin-1-yl]-7,10-dimethyl-5-oxo-2,4-dihydro-1H-chromeno[3,4-c]pyridine-3-carbonyl]-6-pyrrolidin-1-ylbenzamide?
The InChIKey is SNFYZRDHBIOKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H48N6O8S/c1-21-16-27(41-15-14-39(5)23(18-41)20-48-6)22(2)31-29(21)24-10-13-42(19-26(24)36(45)50-31)35(44)25-17-28(40-11-8-9-12-40)30(34(37)43)32(49-7)33(25)51(46,47)38(3)4/h16-17,23H,8-15,18-20H2,1-7H3,(H2,37,43).
What are the key properties of 3-(dimethylsulfamoyl)-2-methoxy-4-[8-[3-(methoxymethyl)-4-methylpiperazin-1-yl]-7,10-dimethyl-5-oxo-2,4-dihydro-1H-chromeno[3,4-c]pyridine-3-carbonyl]-6-pyrrolidin-1-ylbenzamide?
3-(dimethylsulfamoyl)-2-methoxy-4-[8-[3-(methoxymethyl)-4-methylpiperazin-1-yl]-7,10-dimethyl-5-oxo-2,4-dihydro-1H-chromeno[3,4-c]pyridine-3-carbonyl]-6-pyrrolidin-1-ylbenzamide has a molecular weight of 724.88 g/mol, XLogP of 2.33, 9 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-2-methoxy-4-[8-[3-(methoxymethyl)-4-methylpiperazin-1-yl]-7,10-dimethyl-5-oxo-2,4-dihydro-1H-chromeno[3,4-c]pyridine-3-carbonyl]-6-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 177115430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).