4-[1-[3-(dimethylamino)propyl]indazol-3-yl]-3-(1-pyridin-3-ylindol-3-yl)-5-sulfanylidenepyrrol-2-one

C29H26N6OS — CID 20755311

IUPAC4-[1-[3-(dimethylamino)propyl]indazol-3-yl]-3-(1-pyridin-3-ylindol-3-yl)-5-sulfanylidenepyrrol-2-one
SMILESCN(C)CCCn1nc(C2=C(c3cn(-c4cccnc4)c4ccccc34)C(=O)NC2=S)c2ccccc21
InChIInChI=1S/C29H26N6OS/c1-33(2)15-8-16-35-24-13-6-4-11-21(24)27(32-35)26-25(28(36)31-29(26)37)22-18-34(19-9-7-14-30-17-19)23-12-5-3-10-20(22)23/h3-7,9-14,17-18H,8,15-16H2,1-2H3,(H,31,36,37)
InChIKeyQQGUFLDJDLJSKK-UHFFFAOYSA-N
MW506.64 g/mol
LogP4.69
Rot. Bonds7

About 4-[1-[3-(dimethylamino)propyl]indazol-3-yl]-3-(1-pyridin-3-ylindol-3-yl)-5-sulfanylidenepyrrol-2-one

4-[1-[3-(dimethylamino)propyl]indazol-3-yl]-3-(1-pyridin-3-ylindol-3-yl)-5-sulfanylidenepyrrol-2-one (PubChem CID 20755311) has the molecular formula C29H26N6OS and a molecular weight of 506.64 g/mol. Its IUPAC name is 4-[1-[3-(dimethylamino)propyl]indazol-3-yl]-3-(1-pyridin-3-ylindol-3-yl)-5-sulfanylidenepyrrol-2-one.

Molecular Properties

Compound Name4-[1-[3-(dimethylamino)propyl]indazol-3-yl]-3-(1-pyridin-3-ylindol-3-yl)-5-sulfanylidenepyrrol-2-one
PubChem CID20755311
Molecular FormulaC29H26N6OS
Molecular Weight506.64 g/mol
Exact Mass506.19
IUPAC Name4-[1-[3-(dimethylamino)propyl]indazol-3-yl]-3-(1-pyridin-3-ylindol-3-yl)-5-sulfanylidenepyrrol-2-one
SMILESCN(C)CCCn1nc(C2=C(c3cn(-c4cccnc4)c4ccccc34)C(=O)NC2=S)c2ccccc21
InChIInChI=1S/C29H26N6OS/c1-33(2)15-8-16-35-24-13-6-4-11-21(24)27(32-35)26-25(28(36)31-29(26)37)22-18-34(19-9-7-14-30-17-19)23-12-5-3-10-20(22)23/h3-7,9-14,17-18H,8,15-16H2,1-2H3,(H,31,36,37)
InChIKeyQQGUFLDJDLJSKK-UHFFFAOYSA-N
XLogP4.69
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.64
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-[1-[3-(dimethylamino)propyl]indazol-3-yl]-3-(1-pyridin-3-ylindol-3-yl)-5-sulfanylidenepyrrol-2-one 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 4-[1-[3-(dimethylamino)propyl]indazol-3-yl]-3-(1-pyridin-3-ylindol-3-yl)-5-sulfanylidenepyrrol-2-one?
The IUPAC name of 4-[1-[3-(dimethylamino)propyl]indazol-3-yl]-3-(1-pyridin-3-ylindol-3-yl)-5-sulfanylidenepyrrol-2-one (CID 20755311) is 4-[1-[3-(dimethylamino)propyl]indazol-3-yl]-3-(1-pyridin-3-ylindol-3-yl)-5-sulfanylidenepyrrol-2-one.
What is the SMILES notation for 4-[1-[3-(dimethylamino)propyl]indazol-3-yl]-3-(1-pyridin-3-ylindol-3-yl)-5-sulfanylidenepyrrol-2-one?
The canonical SMILES for 4-[1-[3-(dimethylamino)propyl]indazol-3-yl]-3-(1-pyridin-3-ylindol-3-yl)-5-sulfanylidenepyrrol-2-one is CN(C)CCCn1nc(C2=C(c3cn(-c4cccnc4)c4ccccc34)C(=O)NC2=S)c2ccccc21.
What is the InChIKey of 4-[1-[3-(dimethylamino)propyl]indazol-3-yl]-3-(1-pyridin-3-ylindol-3-yl)-5-sulfanylidenepyrrol-2-one?
The InChIKey is QQGUFLDJDLJSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N6OS/c1-33(2)15-8-16-35-24-13-6-4-11-21(24)27(32-35)26-25(28(36)31-29(26)37)22-18-34(19-9-7-14-30-17-19)23-12-5-3-10-20(22)23/h3-7,9-14,17-18H,8,15-16H2,1-2H3,(H,31,36,37).
What are the key properties of 4-[1-[3-(dimethylamino)propyl]indazol-3-yl]-3-(1-pyridin-3-ylindol-3-yl)-5-sulfanylidenepyrrol-2-one?
4-[1-[3-(dimethylamino)propyl]indazol-3-yl]-3-(1-pyridin-3-ylindol-3-yl)-5-sulfanylidenepyrrol-2-one has a molecular weight of 506.64 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[3-(dimethylamino)propyl]indazol-3-yl]-3-(1-pyridin-3-ylindol-3-yl)-5-sulfanylidenepyrrol-2-one is sourced from PubChem (CID 20755311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).