1-[2-(dimethylamino)ethyl]pyrazole-3-sulfonamide;1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine

C45H58N12O7S2 — CID 159954762

About 1-[2-(dimethylamino)ethyl]pyrazole-3-sulfonamide;1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine

1-[2-(dimethylamino)ethyl]pyrazole-3-sulfonamide;1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine (PubChem CID 159954762) has the molecular formula C45H58N12O7S2 and a molecular weight of 943.17 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]pyrazole-3-sulfonamide;1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine.

Molecular Properties

• Compound Name: 1-[2-(dimethylamino)ethyl]pyrazole-3-sulfonamide;1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine
• PubChem CID: 159954762
• Molecular Formula: C45H58N12O7S2
• Molecular Weight: 943.17 g/mol
• Exact Mass: 942.40
• IUPAC Name: 1-[2-(dimethylamino)ethyl]pyrazole-3-sulfonamide;1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine
• SMILES: CN(C)CCn1ccc(S(N)(=O)=O)n1.COc1cc(-c2ccc3c(c2N)CCC3)ccn1.COc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2ccn(CCN(C)C)n2)CCC3)ccn1
• InChI: InChI=1S/C23H28N6O4S.C15H16N2O.C7H14N4O2S/c1-28(2)13-14-29-12-10-21(26-29)34(31,32)27-23(30)25-22-18-6-4-5-16(18)7-8-19(22)17-9-11-24-20(15-17)33-3;1-18-14-9-11(7-8-17-14)13-6-5-10-3-2-4-12(10)15(13)16;1-10(2)5-6-11-4-3-7(9-11)14(8,12)13/h7-12,15H,4-6,13-14H2,1-3H3,(H2,25,27,30);5-9H,2-4,16H2,1H3;3-4H,5-6H2,1-2H3,(H2,8,12,13)
• InChIKey: OCOMWRNMZNPIMD-UHFFFAOYSA-N
• XLogP: 4.43
• TPSA: 247.81 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 14
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	943.17
LogP ≤ 5	4.43
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]pyrazole-3-sulfonamide;1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine?

The IUPAC name of 1-[2-(dimethylamino)ethyl]pyrazole-3-sulfonamide;1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine (CID 159954762) is 1-[2-(dimethylamino)ethyl]pyrazole-3-sulfonamide;1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine.

What is the SMILES notation for 1-[2-(dimethylamino)ethyl]pyrazole-3-sulfonamide;1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine?

The canonical SMILES for 1-[2-(dimethylamino)ethyl]pyrazole-3-sulfonamide;1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine is CN(C)CCn1ccc(S(N)(=O)=O)n1.COc1cc(-c2ccc3c(c2N)CCC3)ccn1.COc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2ccn(CCN(C)C)n2)CCC3)ccn1.

What is the InChIKey of 1-[2-(dimethylamino)ethyl]pyrazole-3-sulfonamide;1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine?

The InChIKey is OCOMWRNMZNPIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O4S.C15H16N2O.C7H14N4O2S/c1-28(2)13-14-29-12-10-21(26-29)34(31,32)27-23(30)25-22-18-6-4-5-16(18)7-8-19(22)17-9-11-24-20(15-17)33-3;1-18-14-9-11(7-8-17-14)13-6-5-10-3-2-4-12(10)15(13)16;1-10(2)5-6-11-4-3-7(9-11)14(8,12)13/h7-12,15H,4-6,13-14H2,1-3H3,(H2,25,27,30);5-9H,2-4,16H2,1H3;3-4H,5-6H2,1-2H3,(H2,8,12,13).

What are the key properties of 1-[2-(dimethylamino)ethyl]pyrazole-3-sulfonamide;1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine?

1-[2-(dimethylamino)ethyl]pyrazole-3-sulfonamide;1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine has a molecular weight of 943.17 g/mol, XLogP of 4.43, 14 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(dimethylamino)ethyl]pyrazole-3-sulfonamide;1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine is sourced from PubChem (CID 159954762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).