3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-naphthalen-1-ylindol-3-yl)pyrrole-2,5-dione

C34H29N5O2 — CID 10143584

IUPAC3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-naphthalen-1-ylindol-3-yl)pyrrole-2,5-dione
SMILESCN(C)CCCn1nc(C2=C(c3cn(-c4cccc5ccccc45)c4ccccc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C34H29N5O2/c1-37(2)19-10-20-39-29-17-8-6-15-25(29)32(36-39)31-30(33(40)35-34(31)41)26-21-38(28-16-7-5-14-24(26)28)27-18-9-12-22-11-3-4-13-23(22)27/h3-9,11-18,21H,10,19-20H2,1-2H3,(H,35,40,41)
InChIKeyIGFXNXIRVKBKLL-UHFFFAOYSA-N
MW539.64 g/mol
LogP5.65
Rot. Bonds7

About 3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-naphthalen-1-ylindol-3-yl)pyrrole-2,5-dione

3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-naphthalen-1-ylindol-3-yl)pyrrole-2,5-dione (PubChem CID 10143584) has the molecular formula C34H29N5O2 and a molecular weight of 539.64 g/mol. Its IUPAC name is 3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-naphthalen-1-ylindol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-naphthalen-1-ylindol-3-yl)pyrrole-2,5-dione
PubChem CID10143584
Molecular FormulaC34H29N5O2
Molecular Weight539.64 g/mol
Exact Mass539.23
IUPAC Name3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-naphthalen-1-ylindol-3-yl)pyrrole-2,5-dione
SMILESCN(C)CCCn1nc(C2=C(c3cn(-c4cccc5ccccc45)c4ccccc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C34H29N5O2/c1-37(2)19-10-20-39-29-17-8-6-15-25(29)32(36-39)31-30(33(40)35-34(31)41)26-21-38(28-16-7-5-14-24(26)28)27-18-9-12-22-11-3-4-13-23(22)27/h3-9,11-18,21H,10,19-20H2,1-2H3,(H,35,40,41)
InChIKeyIGFXNXIRVKBKLL-UHFFFAOYSA-N
XLogP5.65
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.64
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-naphthalen-1-ylindol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-naphthalen-1-ylindol-3-yl)pyrrole-2,5-dione (CID 10143584) is 3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-naphthalen-1-ylindol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-naphthalen-1-ylindol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-naphthalen-1-ylindol-3-yl)pyrrole-2,5-dione is CN(C)CCCn1nc(C2=C(c3cn(-c4cccc5ccccc45)c4ccccc34)C(=O)NC2=O)c2ccccc21.
What is the InChIKey of 3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-naphthalen-1-ylindol-3-yl)pyrrole-2,5-dione?
The InChIKey is IGFXNXIRVKBKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H29N5O2/c1-37(2)19-10-20-39-29-17-8-6-15-25(29)32(36-39)31-30(33(40)35-34(31)41)26-21-38(28-16-7-5-14-24(26)28)27-18-9-12-22-11-3-4-13-23(22)27/h3-9,11-18,21H,10,19-20H2,1-2H3,(H,35,40,41).
What are the key properties of 3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-naphthalen-1-ylindol-3-yl)pyrrole-2,5-dione?
3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-naphthalen-1-ylindol-3-yl)pyrrole-2,5-dione has a molecular weight of 539.64 g/mol, XLogP of 5.65, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-naphthalen-1-ylindol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 10143584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).