5-[[4-(methoxymethyl)-3-methyl-9H-pyrido[3,4-b]indol-5-yl]oxy]thiophene-2-carbaldehyde

C19H16N2O3S — CID 56632554

IUPAC5-[[4-(methoxymethyl)-3-methyl-9H-pyrido[3,4-b]indol-5-yl]oxy]thiophene-2-carbaldehyde
SMILESCOCc1c(C)ncc2[nH]c3cccc(Oc4ccc(C=O)s4)c3c12
InChIInChI=1S/C19H16N2O3S/c1-11-13(10-23-2)18-15(8-20-11)21-14-4-3-5-16(19(14)18)24-17-7-6-12(9-22)25-17/h3-9,21H,10H2,1-2H3
InChIKeyVFQXFNYUFYMDKU-UHFFFAOYSA-N
MW352.42 g/mol
LogP4.84
Rot. Bonds5

About 5-[[4-(methoxymethyl)-3-methyl-9H-pyrido[3,4-b]indol-5-yl]oxy]thiophene-2-carbaldehyde

5-[[4-(methoxymethyl)-3-methyl-9H-pyrido[3,4-b]indol-5-yl]oxy]thiophene-2-carbaldehyde (PubChem CID 56632554) has the molecular formula C19H16N2O3S and a molecular weight of 352.42 g/mol. Its IUPAC name is 5-[[4-(methoxymethyl)-3-methyl-9H-pyrido[3,4-b]indol-5-yl]oxy]thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-[[4-(methoxymethyl)-3-methyl-9H-pyrido[3,4-b]indol-5-yl]oxy]thiophene-2-carbaldehyde
PubChem CID56632554
Molecular FormulaC19H16N2O3S
Molecular Weight352.42 g/mol
Exact Mass352.09
IUPAC Name5-[[4-(methoxymethyl)-3-methyl-9H-pyrido[3,4-b]indol-5-yl]oxy]thiophene-2-carbaldehyde
SMILESCOCc1c(C)ncc2[nH]c3cccc(Oc4ccc(C=O)s4)c3c12
InChIInChI=1S/C19H16N2O3S/c1-11-13(10-23-2)18-15(8-20-11)21-14-4-3-5-16(19(14)18)24-17-7-6-12(9-22)25-17/h3-9,21H,10H2,1-2H3
InChIKeyVFQXFNYUFYMDKU-UHFFFAOYSA-N
XLogP4.84
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[[4-(methoxymethyl)-3-methyl-9H-pyrido[3,4-b]indol-5-yl]oxy]thiophene-2-carbaldehyde with MolForge

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Related Compounds

N-[6-(1H-indol-4-yloxy)pyridin-3-yl]thiophene-3-carboxamide
CID 60175863
Methyl 3-ethoxy-5-[5-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethylamino]-3-pyridinyl]thiophene-2-carboxylate
CID 156201505
Methyl 5-[3-ethoxy-4-[3-(7-fluoro-4-methoxy-2-methylindol-1-yl)propyl]-2-pyridinyl]thiophene-2-carboxylate
CID 156201507
Methyl 5-[4-[2-(6,7-difluoro-4-methoxy-2-methylindol-1-yl)ethylamino]-3-fluoro-2-pyridinyl]-3-ethoxythiophene-2-carboxylate
CID 156201532
Methyl 5-[4-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethylamino]-2-pyridinyl]-3-propan-2-yloxythiophene-2-carboxylate
CID 156201534
Methyl 3-butoxy-5-[4-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethylamino]-2-pyridinyl]thiophene-2-carboxylate
CID 156201552
3-Ethoxy-5-[4-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethylamino]-2-pyridinyl]thiophene-2-carboxamide
CID 156201553
Methyl 3-butan-2-yloxy-5-[4-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethylamino]-2-pyridinyl]thiophene-2-carboxylate
CID 156201574
Methyl 5-[4-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethylamino]-2-pyridinyl]-3-(2-methylpropoxy)thiophene-2-carboxylate
CID 156201587
Methyl 3-ethoxy-5-[4-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethylamino]-5-methyl-2-pyridinyl]thiophene-2-carboxylate
CID 156201613
Methyl 3-ethoxy-5-[4-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethylamino]-2-pyridinyl]thiophene-2-carboxylate
CID 156201620
Methyl 3-ethoxy-5-[3-fluoro-4-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethylamino]-2-pyridinyl]thiophene-2-carboxylate
CID 156711315

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(methoxymethyl)-3-methyl-9H-pyrido[3,4-b]indol-5-yl]oxy]thiophene-2-carbaldehyde?
The IUPAC name of 5-[[4-(methoxymethyl)-3-methyl-9H-pyrido[3,4-b]indol-5-yl]oxy]thiophene-2-carbaldehyde (CID 56632554) is 5-[[4-(methoxymethyl)-3-methyl-9H-pyrido[3,4-b]indol-5-yl]oxy]thiophene-2-carbaldehyde.
What is the SMILES notation for 5-[[4-(methoxymethyl)-3-methyl-9H-pyrido[3,4-b]indol-5-yl]oxy]thiophene-2-carbaldehyde?
The canonical SMILES for 5-[[4-(methoxymethyl)-3-methyl-9H-pyrido[3,4-b]indol-5-yl]oxy]thiophene-2-carbaldehyde is COCc1c(C)ncc2[nH]c3cccc(Oc4ccc(C=O)s4)c3c12.
What is the InChIKey of 5-[[4-(methoxymethyl)-3-methyl-9H-pyrido[3,4-b]indol-5-yl]oxy]thiophene-2-carbaldehyde?
The InChIKey is VFQXFNYUFYMDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3S/c1-11-13(10-23-2)18-15(8-20-11)21-14-4-3-5-16(19(14)18)24-17-7-6-12(9-22)25-17/h3-9,21H,10H2,1-2H3.
What are the key properties of 5-[[4-(methoxymethyl)-3-methyl-9H-pyrido[3,4-b]indol-5-yl]oxy]thiophene-2-carbaldehyde?
5-[[4-(methoxymethyl)-3-methyl-9H-pyrido[3,4-b]indol-5-yl]oxy]thiophene-2-carbaldehyde has a molecular weight of 352.42 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(methoxymethyl)-3-methyl-9H-pyrido[3,4-b]indol-5-yl]oxy]thiophene-2-carbaldehyde is sourced from PubChem (CID 56632554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).