2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]-N-(3-hydroxypropyl)indole-3-carboxamide

C24H26N4O3 — CID 67521323

IUPAC2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]-N-(3-hydroxypropyl)indole-3-carboxamide
SMILESCOc1cc(=C2N=c3ccccc3=C2C(=O)NCCCO)[nH]/c1=C\c1[nH]c(C)cc1C
InChIInChI=1S/C24H26N4O3/c1-14-11-15(2)26-18(14)12-19-21(31-3)13-20(27-19)23-22(24(30)25-9-6-10-29)16-7-4-5-8-17(16)28-23/h4-5,7-8,11-13,26-27,29H,6,9-10H2,1-3H3,(H,25,30)/b19-12-,23-20?
InChIKeyUTDSZNKVJLXDJX-HDUSIBQMSA-N
MW418.50 g/mol
LogP-0.11
Rot. Bonds6

About 2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]-N-(3-hydroxypropyl)indole-3-carboxamide

2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]-N-(3-hydroxypropyl)indole-3-carboxamide (PubChem CID 67521323) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is 2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]-N-(3-hydroxypropyl)indole-3-carboxamide.

Molecular Properties

Compound Name2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]-N-(3-hydroxypropyl)indole-3-carboxamide
PubChem CID67521323
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]-N-(3-hydroxypropyl)indole-3-carboxamide
SMILESCOc1cc(=C2N=c3ccccc3=C2C(=O)NCCCO)[nH]/c1=C\c1[nH]c(C)cc1C
InChIInChI=1S/C24H26N4O3/c1-14-11-15(2)26-18(14)12-19-21(31-3)13-20(27-19)23-22(24(30)25-9-6-10-29)16-7-4-5-8-17(16)28-23/h4-5,7-8,11-13,26-27,29H,6,9-10H2,1-3H3,(H,25,30)/b19-12-,23-20?
InChIKeyUTDSZNKVJLXDJX-HDUSIBQMSA-N
XLogP-0.11
TPSA102.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 5-0.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]-N-(3-hydroxypropyl)indole-3-carboxamide?
The IUPAC name of 2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]-N-(3-hydroxypropyl)indole-3-carboxamide (CID 67521323) is 2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]-N-(3-hydroxypropyl)indole-3-carboxamide.
What is the SMILES notation for 2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]-N-(3-hydroxypropyl)indole-3-carboxamide?
The canonical SMILES for 2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]-N-(3-hydroxypropyl)indole-3-carboxamide is COc1cc(=C2N=c3ccccc3=C2C(=O)NCCCO)[nH]/c1=C\c1[nH]c(C)cc1C.
What is the InChIKey of 2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]-N-(3-hydroxypropyl)indole-3-carboxamide?
The InChIKey is UTDSZNKVJLXDJX-HDUSIBQMSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-14-11-15(2)26-18(14)12-19-21(31-3)13-20(27-19)23-22(24(30)25-9-6-10-29)16-7-4-5-8-17(16)28-23/h4-5,7-8,11-13,26-27,29H,6,9-10H2,1-3H3,(H,25,30)/b19-12-,23-20?.
What are the key properties of 2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]-N-(3-hydroxypropyl)indole-3-carboxamide?
2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]-N-(3-hydroxypropyl)indole-3-carboxamide has a molecular weight of 418.50 g/mol, XLogP of -0.11, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]-N-(3-hydroxypropyl)indole-3-carboxamide is sourced from PubChem (CID 67521323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).