N-[(7R,9S)-3-cyclopropyl-5-(2-methylpropylsulfamoyl)-9-(pyridin-3-ylamino)-8,9-dihydro-7H-cyclopenta[h]isoquinolin-7-yl]pyridine-3-carboxamide

C30H32N6O3S — CID 156536129

About N-[(7R,9S)-3-cyclopropyl-5-(2-methylpropylsulfamoyl)-9-(pyridin-3-ylamino)-8,9-dihydro-7H-cyclopenta[h]isoquinolin-7-yl]pyridine-3-carboxamide

N-[(7R,9S)-3-cyclopropyl-5-(2-methylpropylsulfamoyl)-9-(pyridin-3-ylamino)-8,9-dihydro-7H-cyclopenta[h]isoquinolin-7-yl]pyridine-3-carboxamide (PubChem CID 156536129) has the molecular formula C30H32N6O3S and a molecular weight of 556.69 g/mol. Its IUPAC name is N-[(7R,9S)-3-cyclopropyl-5-(2-methylpropylsulfamoyl)-9-(pyridin-3-ylamino)-8,9-dihydro-7H-cyclopenta[h]isoquinolin-7-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(7R,9S)-3-cyclopropyl-5-(2-methylpropylsulfamoyl)-9-(pyridin-3-ylamino)-8,9-dihydro-7H-cyclopenta[h]isoquinolin-7-yl]pyridine-3-carboxamide
• PubChem CID: 156536129
• Molecular Formula: C30H32N6O3S
• Molecular Weight: 556.69 g/mol
• Exact Mass: 556.23
• IUPAC Name: N-[(7R,9S)-3-cyclopropyl-5-(2-methylpropylsulfamoyl)-9-(pyridin-3-ylamino)-8,9-dihydro-7H-cyclopenta[h]isoquinolin-7-yl]pyridine-3-carboxamide
• SMILES: CC(C)CNS(=O)(=O)c1cc2c(c3cnc(C4CC4)cc13)[C@@H](Nc1cccnc1)C[C@H]2NC(=O)c1cccnc1
• InChI: InChI=1S/C30H32N6O3S/c1-18(2)14-34-40(38,39)28-12-23-26(36-30(37)20-5-3-9-31-15-20)13-27(35-21-6-4-10-32-16-21)29(23)24-17-33-25(11-22(24)28)19-7-8-19/h3-6,9-12,15-19,26-27,34-35H,7-8,13-14H2,1-2H3,(H,36,37)/t26-,27+/m1/s1
• InChIKey: RZBDDKXYXKVUMI-SXOMAYOGSA-N
• XLogP: 4.86
• TPSA: 125.97 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	556.69
LogP ≤ 5	4.86
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(7R,9S)-3-cyclopropyl-5-(2-methylpropylsulfamoyl)-9-(pyridin-3-ylamino)-8,9-dihydro-7H-cyclopenta[h]isoquinolin-7-yl]pyridine-3-carboxamide?

The IUPAC name of N-[(7R,9S)-3-cyclopropyl-5-(2-methylpropylsulfamoyl)-9-(pyridin-3-ylamino)-8,9-dihydro-7H-cyclopenta[h]isoquinolin-7-yl]pyridine-3-carboxamide (CID 156536129) is N-[(7R,9S)-3-cyclopropyl-5-(2-methylpropylsulfamoyl)-9-(pyridin-3-ylamino)-8,9-dihydro-7H-cyclopenta[h]isoquinolin-7-yl]pyridine-3-carboxamide.

What is the SMILES notation for N-[(7R,9S)-3-cyclopropyl-5-(2-methylpropylsulfamoyl)-9-(pyridin-3-ylamino)-8,9-dihydro-7H-cyclopenta[h]isoquinolin-7-yl]pyridine-3-carboxamide?

The canonical SMILES for N-[(7R,9S)-3-cyclopropyl-5-(2-methylpropylsulfamoyl)-9-(pyridin-3-ylamino)-8,9-dihydro-7H-cyclopenta[h]isoquinolin-7-yl]pyridine-3-carboxamide is CC(C)CNS(=O)(=O)c1cc2c(c3cnc(C4CC4)cc13)[C@@H](Nc1cccnc1)C[C@H]2NC(=O)c1cccnc1.

What is the InChIKey of N-[(7R,9S)-3-cyclopropyl-5-(2-methylpropylsulfamoyl)-9-(pyridin-3-ylamino)-8,9-dihydro-7H-cyclopenta[h]isoquinolin-7-yl]pyridine-3-carboxamide?

The InChIKey is RZBDDKXYXKVUMI-SXOMAYOGSA-N. The full InChI is InChI=1S/C30H32N6O3S/c1-18(2)14-34-40(38,39)28-12-23-26(36-30(37)20-5-3-9-31-15-20)13-27(35-21-6-4-10-32-16-21)29(23)24-17-33-25(11-22(24)28)19-7-8-19/h3-6,9-12,15-19,26-27,34-35H,7-8,13-14H2,1-2H3,(H,36,37)/t26-,27+/m1/s1.

What are the key properties of N-[(7R,9S)-3-cyclopropyl-5-(2-methylpropylsulfamoyl)-9-(pyridin-3-ylamino)-8,9-dihydro-7H-cyclopenta[h]isoquinolin-7-yl]pyridine-3-carboxamide?

N-[(7R,9S)-3-cyclopropyl-5-(2-methylpropylsulfamoyl)-9-(pyridin-3-ylamino)-8,9-dihydro-7H-cyclopenta[h]isoquinolin-7-yl]pyridine-3-carboxamide has a molecular weight of 556.69 g/mol, XLogP of 4.86, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(7R,9S)-3-cyclopropyl-5-(2-methylpropylsulfamoyl)-9-(pyridin-3-ylamino)-8,9-dihydro-7H-cyclopenta[h]isoquinolin-7-yl]pyridine-3-carboxamide is sourced from PubChem (CID 156536129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).