5-[2-[2-[2-[2-[2-[[5-(8,9-difluoro-5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methylbenzaldehyde

C34H35F2N3O7 — CID 142365152

IUPAC5-[2-[2-[2-[2-[2-[[5-(8,9-difluoro-5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methylbenzaldehyde
SMILESCc1ccc(OCCOCCOCCOCCOCCOc2ccc(-c3cc4[nH]c5ccncc5c4c(F)c3F)cn2)cc1C=O
InChIInChI=1S/C34H35F2N3O7/c1-23-2-4-26(18-25(23)22-40)45-16-14-43-12-10-41-8-9-42-11-13-44-15-17-46-31-5-3-24(20-38-31)27-19-30-32(34(36)33(27)35)28-21-37-7-6-29(28)39-30/h2-7,18-22,39H,8-17H2,1H3
InChIKeyLTEXGNHOVYKZMH-UHFFFAOYSA-N
MW635.66 g/mol
LogP5.70
Rot. Bonds19

About 5-[2-[2-[2-[2-[2-[[5-(8,9-difluoro-5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methylbenzaldehyde

5-[2-[2-[2-[2-[2-[[5-(8,9-difluoro-5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methylbenzaldehyde (PubChem CID 142365152) has the molecular formula C34H35F2N3O7 and a molecular weight of 635.66 g/mol. Its IUPAC name is 5-[2-[2-[2-[2-[2-[[5-(8,9-difluoro-5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methylbenzaldehyde.

Molecular Properties

Compound Name5-[2-[2-[2-[2-[2-[[5-(8,9-difluoro-5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methylbenzaldehyde
PubChem CID142365152
Molecular FormulaC34H35F2N3O7
Molecular Weight635.66 g/mol
Exact Mass635.24
IUPAC Name5-[2-[2-[2-[2-[2-[[5-(8,9-difluoro-5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methylbenzaldehyde
SMILESCc1ccc(OCCOCCOCCOCCOCCOc2ccc(-c3cc4[nH]c5ccncc5c4c(F)c3F)cn2)cc1C=O
InChIInChI=1S/C34H35F2N3O7/c1-23-2-4-26(18-25(23)22-40)45-16-14-43-12-10-41-8-9-42-11-13-44-15-17-46-31-5-3-24(20-38-31)27-19-30-32(34(36)33(27)35)28-21-37-7-6-29(28)39-30/h2-7,18-22,39H,8-17H2,1H3
InChIKeyLTEXGNHOVYKZMH-UHFFFAOYSA-N
XLogP5.70
TPSA114.02 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds19
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.66
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 5-[2-[2-[2-[2-[2-[[5-(8,9-difluoro-5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methylbenzaldehyde 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 5-[2-[2-[2-[2-[2-[[5-(8,9-difluoro-5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methylbenzaldehyde?
The IUPAC name of 5-[2-[2-[2-[2-[2-[[5-(8,9-difluoro-5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methylbenzaldehyde (CID 142365152) is 5-[2-[2-[2-[2-[2-[[5-(8,9-difluoro-5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methylbenzaldehyde.
What is the SMILES notation for 5-[2-[2-[2-[2-[2-[[5-(8,9-difluoro-5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methylbenzaldehyde?
The canonical SMILES for 5-[2-[2-[2-[2-[2-[[5-(8,9-difluoro-5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methylbenzaldehyde is Cc1ccc(OCCOCCOCCOCCOCCOc2ccc(-c3cc4[nH]c5ccncc5c4c(F)c3F)cn2)cc1C=O.
What is the InChIKey of 5-[2-[2-[2-[2-[2-[[5-(8,9-difluoro-5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methylbenzaldehyde?
The InChIKey is LTEXGNHOVYKZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35F2N3O7/c1-23-2-4-26(18-25(23)22-40)45-16-14-43-12-10-41-8-9-42-11-13-44-15-17-46-31-5-3-24(20-38-31)27-19-30-32(34(36)33(27)35)28-21-37-7-6-29(28)39-30/h2-7,18-22,39H,8-17H2,1H3.
What are the key properties of 5-[2-[2-[2-[2-[2-[[5-(8,9-difluoro-5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methylbenzaldehyde?
5-[2-[2-[2-[2-[2-[[5-(8,9-difluoro-5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methylbenzaldehyde has a molecular weight of 635.66 g/mol, XLogP of 5.70, 19 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-[2-[2-[2-[[5-(8,9-difluoro-5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methylbenzaldehyde is sourced from PubChem (CID 142365152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).