4-[4-(1H-indol-5-ylamino)thieno[2,3-b]pyridin-2-yl]thiophene-2-carbaldehyde

C20H13N3OS2 — CID 87848495

IUPAC4-[4-(1H-indol-5-ylamino)thieno[2,3-b]pyridin-2-yl]thiophene-2-carbaldehyde
SMILESO=Cc1cc(-c2cc3c(Nc4ccc5[nH]ccc5c4)ccnc3s2)cs1
InChIInChI=1S/C20H13N3OS2/c24-10-15-8-13(11-25-15)19-9-16-18(4-6-22-20(16)26-19)23-14-1-2-17-12(7-14)3-5-21-17/h1-11,21H,(H,22,23)
InChIKeySSJLMXMFFUHDNA-UHFFFAOYSA-N
MW375.48 g/mol
LogP6.06
Rot. Bonds4

About 4-[4-(1H-indol-5-ylamino)thieno[2,3-b]pyridin-2-yl]thiophene-2-carbaldehyde

4-[4-(1H-indol-5-ylamino)thieno[2,3-b]pyridin-2-yl]thiophene-2-carbaldehyde (PubChem CID 87848495) has the molecular formula C20H13N3OS2 and a molecular weight of 375.48 g/mol. Its IUPAC name is 4-[4-(1H-indol-5-ylamino)thieno[2,3-b]pyridin-2-yl]thiophene-2-carbaldehyde.

Molecular Properties

Compound Name4-[4-(1H-indol-5-ylamino)thieno[2,3-b]pyridin-2-yl]thiophene-2-carbaldehyde
PubChem CID87848495
Molecular FormulaC20H13N3OS2
Molecular Weight375.48 g/mol
Exact Mass375.05
IUPAC Name4-[4-(1H-indol-5-ylamino)thieno[2,3-b]pyridin-2-yl]thiophene-2-carbaldehyde
SMILESO=Cc1cc(-c2cc3c(Nc4ccc5[nH]ccc5c4)ccnc3s2)cs1
InChIInChI=1S/C20H13N3OS2/c24-10-15-8-13(11-25-15)19-9-16-18(4-6-22-20(16)26-19)23-14-1-2-17-12(7-14)3-5-21-17/h1-11,21H,(H,22,23)
InChIKeySSJLMXMFFUHDNA-UHFFFAOYSA-N
XLogP6.06
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.48
LogP ≤ 56.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[4-(1H-indol-5-ylamino)thieno[2,3-b]pyridin-2-yl]thiophene-2-carbaldehyde with MolForge

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Related Compounds

2-[[4-[4-(1H-indol-5-ylamino)thieno[2,3-b]pyridin-2-yl]phenyl]methylamino]ethanol
CID 91298049
N-(1H-indol-5-yl)-2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]thieno[2,3-b]pyridin-4-amine
CID 69478254
5-[[4-[7-(1H-indol-5-ylamino)thieno[3,2-b]pyridin-2-yl]phenyl]methylamino]pentan-1-ol
CID 18383017
N-(1,3-thiazol-2-ylmethyl)-1H-indol-5-amine
CID 63655581
N-(2-chloropyrimidin-4-yl)-1H-indol-5-amine
CID 88557543
1-butyl-3-[4-[5-cyano-4-(1H-indol-5-ylamino)thieno[2,3-b]pyridin-2-yl]phenyl]urea
CID 69472652
4-(cyclobutylamino)thieno[2,3-b]pyridine-2-carbaldehyde
CID 143159940
[2-[7-(1H-indol-5-ylamino)thieno[3,2-b]pyridin-2-yl]-5-methylphenyl]sulfamic acid
CID 141009750
2-buta-1,3-dienyl-4-(1H-indol-5-ylamino)thieno[2,3-b]pyridine-5-carbonitrile
CID 90723877
2-[(1E)-buta-1,3-dienyl]-4-(1H-indol-5-ylamino)thieno[2,3-b]pyridine-5-carbonitrile
CID 86611805
[2-[4-[(4-methyl-1H-indol-5-yl)amino]thieno[2,3-b]pyridin-2-yl]phenyl]methanol
CID 69471595
N-(4-ethyl-2-pyridinyl)-1H-indol-5-amine
CID 155412453

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1H-indol-5-ylamino)thieno[2,3-b]pyridin-2-yl]thiophene-2-carbaldehyde?
The IUPAC name of 4-[4-(1H-indol-5-ylamino)thieno[2,3-b]pyridin-2-yl]thiophene-2-carbaldehyde (CID 87848495) is 4-[4-(1H-indol-5-ylamino)thieno[2,3-b]pyridin-2-yl]thiophene-2-carbaldehyde.
What is the SMILES notation for 4-[4-(1H-indol-5-ylamino)thieno[2,3-b]pyridin-2-yl]thiophene-2-carbaldehyde?
The canonical SMILES for 4-[4-(1H-indol-5-ylamino)thieno[2,3-b]pyridin-2-yl]thiophene-2-carbaldehyde is O=Cc1cc(-c2cc3c(Nc4ccc5[nH]ccc5c4)ccnc3s2)cs1.
What is the InChIKey of 4-[4-(1H-indol-5-ylamino)thieno[2,3-b]pyridin-2-yl]thiophene-2-carbaldehyde?
The InChIKey is SSJLMXMFFUHDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N3OS2/c24-10-15-8-13(11-25-15)19-9-16-18(4-6-22-20(16)26-19)23-14-1-2-17-12(7-14)3-5-21-17/h1-11,21H,(H,22,23).
What are the key properties of 4-[4-(1H-indol-5-ylamino)thieno[2,3-b]pyridin-2-yl]thiophene-2-carbaldehyde?
4-[4-(1H-indol-5-ylamino)thieno[2,3-b]pyridin-2-yl]thiophene-2-carbaldehyde has a molecular weight of 375.48 g/mol, XLogP of 6.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1H-indol-5-ylamino)thieno[2,3-b]pyridin-2-yl]thiophene-2-carbaldehyde is sourced from PubChem (CID 87848495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).