5-[3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-1-yl]pentanimidamide

C26H25N5O2 — CID 5327942

IUPAC5-[3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-1-yl]pentanimidamide
SMILES[H]/N=C(\N)CCCCn1cc(C2=C(c3cn(C)c4ccccc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C26H25N5O2/c1-30-14-18(16-8-2-4-10-20(16)30)23-24(26(33)29-25(23)32)19-15-31(13-7-6-12-22(27)28)21-11-5-3-9-17(19)21/h2-5,8-11,14-15H,6-7,12-13H2,1H3,(H3,27,28)(H,29,32,33)
InChIKeyXIFBOSNPWOEMFB-UHFFFAOYSA-N
MW439.52 g/mol
LogP3.81
Rot. Bonds7

About 5-[3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-1-yl]pentanimidamide

5-[3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-1-yl]pentanimidamide (PubChem CID 5327942) has the molecular formula C26H25N5O2 and a molecular weight of 439.52 g/mol. Its IUPAC name is 5-[3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-1-yl]pentanimidamide.

Molecular Properties

Compound Name5-[3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-1-yl]pentanimidamide
PubChem CID5327942
Molecular FormulaC26H25N5O2
Molecular Weight439.52 g/mol
Exact Mass439.20
IUPAC Name5-[3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-1-yl]pentanimidamide
SMILES[H]/N=C(\N)CCCCn1cc(C2=C(c3cn(C)c4ccccc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C26H25N5O2/c1-30-14-18(16-8-2-4-10-20(16)30)23-24(26(33)29-25(23)32)19-15-31(13-7-6-12-22(27)28)21-11-5-3-9-17(19)21/h2-5,8-11,14-15H,6-7,12-13H2,1H3,(H3,27,28)(H,29,32,33)
InChIKeyXIFBOSNPWOEMFB-UHFFFAOYSA-N
XLogP3.81
TPSA105.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-1-yl]pentanimidamide?
The IUPAC name of 5-[3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-1-yl]pentanimidamide (CID 5327942) is 5-[3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-1-yl]pentanimidamide.
What is the SMILES notation for 5-[3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-1-yl]pentanimidamide?
The canonical SMILES for 5-[3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-1-yl]pentanimidamide is [H]/N=C(\N)CCCCn1cc(C2=C(c3cn(C)c4ccccc34)C(=O)NC2=O)c2ccccc21.
What is the InChIKey of 5-[3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-1-yl]pentanimidamide?
The InChIKey is XIFBOSNPWOEMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O2/c1-30-14-18(16-8-2-4-10-20(16)30)23-24(26(33)29-25(23)32)19-15-31(13-7-6-12-22(27)28)21-11-5-3-9-17(19)21/h2-5,8-11,14-15H,6-7,12-13H2,1H3,(H3,27,28)(H,29,32,33).
What are the key properties of 5-[3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-1-yl]pentanimidamide?
5-[3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-1-yl]pentanimidamide has a molecular weight of 439.52 g/mol, XLogP of 3.81, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-1-yl]pentanimidamide is sourced from PubChem (CID 5327942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).