N-[3-cyclopropyl-9-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]-5-(2-methylpropylsulfamoyl)-8,9-dihydro-7H-cyclopenta[h]isoquinolin-7-yl]pyridine-3-carboxamide

C34H35N5O5S — CID 156536139

IUPACN-[3-cyclopropyl-9-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]-5-(2-methylpropylsulfamoyl)-8,9-dihydro-7H-cyclopenta[h]isoquinolin-7-yl]pyridine-3-carboxamide
SMILESCC(C)CNS(=O)(=O)c1cc2c(c3cnc(C4CC4)cc13)C(NC(=O)/C=C/c1ccc(O)cc1)CC2NC(=O)c1cccnc1
InChIInChI=1S/C34H35N5O5S/c1-20(2)17-37-45(43,44)31-15-26-29(39-34(42)23-4-3-13-35-18-23)16-30(38-32(41)12-7-21-5-10-24(40)11-6-21)33(26)27-19-36-28(14-25(27)31)22-8-9-22/h3-7,10-15,18-20,22,29-30,37,40H,8-9,16-17H2,1-2H3,(H,38,41)(H,39,42)/b12-7+
InChIKeySYAHEBXXWLFGBI-KPKJPENVSA-N
MW625.75 g/mol
LogP4.89
Rot. Bonds10

About N-[3-cyclopropyl-9-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]-5-(2-methylpropylsulfamoyl)-8,9-dihydro-7H-cyclopenta[h]isoquinolin-7-yl]pyridine-3-carboxamide

N-[3-cyclopropyl-9-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]-5-(2-methylpropylsulfamoyl)-8,9-dihydro-7H-cyclopenta[h]isoquinolin-7-yl]pyridine-3-carboxamide (PubChem CID 156536139) has the molecular formula C34H35N5O5S and a molecular weight of 625.75 g/mol. Its IUPAC name is N-[3-cyclopropyl-9-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]-5-(2-methylpropylsulfamoyl)-8,9-dihydro-7H-cyclopenta[h]isoquinolin-7-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-cyclopropyl-9-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]-5-(2-methylpropylsulfamoyl)-8,9-dihydro-7H-cyclopenta[h]isoquinolin-7-yl]pyridine-3-carboxamide
PubChem CID156536139
Molecular FormulaC34H35N5O5S
Molecular Weight625.75 g/mol
Exact Mass625.24
IUPAC NameN-[3-cyclopropyl-9-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]-5-(2-methylpropylsulfamoyl)-8,9-dihydro-7H-cyclopenta[h]isoquinolin-7-yl]pyridine-3-carboxamide
SMILESCC(C)CNS(=O)(=O)c1cc2c(c3cnc(C4CC4)cc13)C(NC(=O)/C=C/c1ccc(O)cc1)CC2NC(=O)c1cccnc1
InChIInChI=1S/C34H35N5O5S/c1-20(2)17-37-45(43,44)31-15-26-29(39-34(42)23-4-3-13-35-18-23)16-30(38-32(41)12-7-21-5-10-24(40)11-6-21)33(26)27-19-36-28(14-25(27)31)22-8-9-22/h3-7,10-15,18-20,22,29-30,37,40H,8-9,16-17H2,1-2H3,(H,38,41)(H,39,42)/b12-7+
InChIKeySYAHEBXXWLFGBI-KPKJPENVSA-N
XLogP4.89
TPSA150.38 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500625.75
LogP ≤ 54.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[3-cyclopropyl-9-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]-5-(2-methylpropylsulfamoyl)-8,9-dihydro-7H-cyclopenta[h]isoquinolin-7-yl]pyridine-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-cyclopropyl-9-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]-5-(2-methylpropylsulfamoyl)-8,9-dihydro-7H-cyclopenta[h]isoquinolin-7-yl]pyridine-3-carboxamide?
The IUPAC name of N-[3-cyclopropyl-9-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]-5-(2-methylpropylsulfamoyl)-8,9-dihydro-7H-cyclopenta[h]isoquinolin-7-yl]pyridine-3-carboxamide (CID 156536139) is N-[3-cyclopropyl-9-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]-5-(2-methylpropylsulfamoyl)-8,9-dihydro-7H-cyclopenta[h]isoquinolin-7-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-cyclopropyl-9-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]-5-(2-methylpropylsulfamoyl)-8,9-dihydro-7H-cyclopenta[h]isoquinolin-7-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-cyclopropyl-9-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]-5-(2-methylpropylsulfamoyl)-8,9-dihydro-7H-cyclopenta[h]isoquinolin-7-yl]pyridine-3-carboxamide is CC(C)CNS(=O)(=O)c1cc2c(c3cnc(C4CC4)cc13)C(NC(=O)/C=C/c1ccc(O)cc1)CC2NC(=O)c1cccnc1.
What is the InChIKey of N-[3-cyclopropyl-9-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]-5-(2-methylpropylsulfamoyl)-8,9-dihydro-7H-cyclopenta[h]isoquinolin-7-yl]pyridine-3-carboxamide?
The InChIKey is SYAHEBXXWLFGBI-KPKJPENVSA-N. The full InChI is InChI=1S/C34H35N5O5S/c1-20(2)17-37-45(43,44)31-15-26-29(39-34(42)23-4-3-13-35-18-23)16-30(38-32(41)12-7-21-5-10-24(40)11-6-21)33(26)27-19-36-28(14-25(27)31)22-8-9-22/h3-7,10-15,18-20,22,29-30,37,40H,8-9,16-17H2,1-2H3,(H,38,41)(H,39,42)/b12-7+.
What are the key properties of N-[3-cyclopropyl-9-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]-5-(2-methylpropylsulfamoyl)-8,9-dihydro-7H-cyclopenta[h]isoquinolin-7-yl]pyridine-3-carboxamide?
N-[3-cyclopropyl-9-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]-5-(2-methylpropylsulfamoyl)-8,9-dihydro-7H-cyclopenta[h]isoquinolin-7-yl]pyridine-3-carboxamide has a molecular weight of 625.75 g/mol, XLogP of 4.89, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyclopropyl-9-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]-5-(2-methylpropylsulfamoyl)-8,9-dihydro-7H-cyclopenta[h]isoquinolin-7-yl]pyridine-3-carboxamide is sourced from PubChem (CID 156536139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).