2-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-3-carbaldehyde

C12H9N3OS — CID 89118347

IUPAC2-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-3-carbaldehyde
SMILESO=Cc1ccsc1Nc1ccnc2[nH]ccc12
InChIInChI=1S/C12H9N3OS/c16-7-8-3-6-17-12(8)15-10-2-5-14-11-9(10)1-4-13-11/h1-7H,(H2,13,14,15)
InChIKeyTVVHMRXWZMWZSJ-UHFFFAOYSA-N
MW243.29 g/mol
LogP3.18
Rot. Bonds3

About 2-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-3-carbaldehyde

2-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-3-carbaldehyde (PubChem CID 89118347) has the molecular formula C12H9N3OS and a molecular weight of 243.29 g/mol. Its IUPAC name is 2-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-3-carbaldehyde.

Molecular Properties

Compound Name2-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-3-carbaldehyde
PubChem CID89118347
Molecular FormulaC12H9N3OS
Molecular Weight243.29 g/mol
Exact Mass243.05
IUPAC Name2-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-3-carbaldehyde
SMILESO=Cc1ccsc1Nc1ccnc2[nH]ccc12
InChIInChI=1S/C12H9N3OS/c16-7-8-3-6-17-12(8)15-10-2-5-14-11-9(10)1-4-13-11/h1-7H,(H2,13,14,15)
InChIKeyTVVHMRXWZMWZSJ-UHFFFAOYSA-N
XLogP3.18
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1-hydroxy-3-phenylpropan-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-3-carboxamide
CID 75583226
N-[2-amino-1-(4-methylphenyl)ethyl]-2-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-3-carboxamide
CID 70795546
1-N-methyl-4-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzene-1,4-diamine
CID 143384741
N-piperidin-1-yl-3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-2-carboxamide
CID 67959432
N-pyrrolidin-1-yl-3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-2-carboxamide
CID 66958088
[2-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophen-3-yl] N-[2-amino-1-(3,4-dichlorophenyl)ethyl]carbamate
CID 130442861
N-benzyl-3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-2-carboxamide
CID 130459068
[3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophen-2-yl] N-[2-[(4-methylphenyl)methylamino]ethyl]carbamate
CID 130442873
[3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophen-2-yl] N-[(1S)-2-hydroxy-1-phenylethyl]carbamate
CID 130442795
3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)benzoic acid
CID 58086793
[2-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophen-3-yl] N-[2-amino-1-(3-methoxyphenyl)ethyl]carbamate
CID 130442822
N-(3-nitrosophenyl)-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 143384635

Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-3-carbaldehyde?
The IUPAC name of 2-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-3-carbaldehyde (CID 89118347) is 2-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-3-carbaldehyde.
What is the SMILES notation for 2-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-3-carbaldehyde?
The canonical SMILES for 2-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-3-carbaldehyde is O=Cc1ccsc1Nc1ccnc2[nH]ccc12.
What is the InChIKey of 2-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-3-carbaldehyde?
The InChIKey is TVVHMRXWZMWZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3OS/c16-7-8-3-6-17-12(8)15-10-2-5-14-11-9(10)1-4-13-11/h1-7H,(H2,13,14,15).
What are the key properties of 2-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-3-carbaldehyde?
2-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-3-carbaldehyde has a molecular weight of 243.29 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-3-carbaldehyde is sourced from PubChem (CID 89118347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).