2-(5-formyl-4-methylthiophen-2-yl)-7-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide

C22H20N4O3S — CID 87070930

IUPAC2-(5-formyl-4-methylthiophen-2-yl)-7-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide
SMILESCc1cc(-c2cc(C(N)=O)c3[nH]c4cc(N5CCOCC5)ccc4c3n2)sc1C=O
InChIInChI=1S/C22H20N4O3S/c1-12-8-18(30-19(12)11-27)17-10-15(22(23)28)21-20(25-17)14-3-2-13(9-16(14)24-21)26-4-6-29-7-5-26/h2-3,8-11,24H,4-7H2,1H3,(H2,23,28)
InChIKeyUURSDBWGTHPTRU-UHFFFAOYSA-N
MW420.49 g/mol
LogP3.50
Rot. Bonds4

About 2-(5-formyl-4-methylthiophen-2-yl)-7-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide

2-(5-formyl-4-methylthiophen-2-yl)-7-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide (PubChem CID 87070930) has the molecular formula C22H20N4O3S and a molecular weight of 420.49 g/mol. Its IUPAC name is 2-(5-formyl-4-methylthiophen-2-yl)-7-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide.

Molecular Properties

Compound Name2-(5-formyl-4-methylthiophen-2-yl)-7-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide
PubChem CID87070930
Molecular FormulaC22H20N4O3S
Molecular Weight420.49 g/mol
Exact Mass420.13
IUPAC Name2-(5-formyl-4-methylthiophen-2-yl)-7-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide
SMILESCc1cc(-c2cc(C(N)=O)c3[nH]c4cc(N5CCOCC5)ccc4c3n2)sc1C=O
InChIInChI=1S/C22H20N4O3S/c1-12-8-18(30-19(12)11-27)17-10-15(22(23)28)21-20(25-17)14-3-2-13(9-16(14)24-21)26-4-6-29-7-5-26/h2-3,8-11,24H,4-7H2,1H3,(H2,23,28)
InChIKeyUURSDBWGTHPTRU-UHFFFAOYSA-N
XLogP3.50
TPSA101.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(5-formyl-4-methylthiophen-2-yl)-7-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide with MolForge

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Related Compounds

2-(6-ethyl-3-pyridinyl)-7-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide
CID 66604021
7-morpholin-4-yl-2-[3-(trifluoromethyl)phenyl]-5H-pyrido[3,2-b]indole-4-carboxamide
CID 66605206
2-(3-chloro-4-piperidin-4-yloxyphenyl)-7-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide
CID 66604352
7-(4-methylpiperazin-1-yl)-2-(6-methyl-3-pyridinyl)-5H-pyrido[3,2-b]indole-4-carboxamide
CID 66605031
2-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-7-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide
CID 66604515
2-[3-chloro-4-[2-(1,4-oxazepan-4-yl)ethoxy]phenyl]-7-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide
CID 66604492
2-(1-methylindazol-5-yl)-7-(4-methylpiperazin-1-yl)-5H-pyrido[3,2-b]indole-4-carboxamide
CID 66605451
methyl 4-[2-[4-(4-carbamoyl-7-morpholin-4-yl-5H-pyrido[3,2-b]indol-2-yl)-2-chlorophenoxy]ethyl]piperazine-1-carboxylate
CID 66614365
2-[3-chloro-4-[2-(1,1-dihydroxy-1,4-thiazinan-4-yl)ethoxy]phenyl]-7-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide
CID 66604896
7-[4-(2-methoxyethyl)piperazin-1-yl]-2-(6-methyl-3-pyridinyl)-5H-pyrido[3,2-b]indole-4-carboxamide
CID 66605821
2-(4-aminophenyl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide
CID 89054047
2-[3-chloro-4-[2-(4-morpholin-4-ylpiperidin-1-yl)ethoxy]phenyl]-7-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide
CID 66604772

Frequently Asked Questions

What is the IUPAC name of 2-(5-formyl-4-methylthiophen-2-yl)-7-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide?
The IUPAC name of 2-(5-formyl-4-methylthiophen-2-yl)-7-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide (CID 87070930) is 2-(5-formyl-4-methylthiophen-2-yl)-7-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide.
What is the SMILES notation for 2-(5-formyl-4-methylthiophen-2-yl)-7-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide?
The canonical SMILES for 2-(5-formyl-4-methylthiophen-2-yl)-7-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide is Cc1cc(-c2cc(C(N)=O)c3[nH]c4cc(N5CCOCC5)ccc4c3n2)sc1C=O.
What is the InChIKey of 2-(5-formyl-4-methylthiophen-2-yl)-7-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide?
The InChIKey is UURSDBWGTHPTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3S/c1-12-8-18(30-19(12)11-27)17-10-15(22(23)28)21-20(25-17)14-3-2-13(9-16(14)24-21)26-4-6-29-7-5-26/h2-3,8-11,24H,4-7H2,1H3,(H2,23,28).
What are the key properties of 2-(5-formyl-4-methylthiophen-2-yl)-7-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide?
2-(5-formyl-4-methylthiophen-2-yl)-7-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide has a molecular weight of 420.49 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-formyl-4-methylthiophen-2-yl)-7-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide is sourced from PubChem (CID 87070930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).