N-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine-4-carboxamide

C12H9N3OS — CID 166321044

IUPACN-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
SMILESO=C(Nc1ccsc1)c1ccnc2[nH]ccc12
InChIInChI=1S/C12H9N3OS/c16-12(15-8-3-6-17-7-8)10-2-5-14-11-9(10)1-4-13-11/h1-7H,(H,13,14)(H,15,16)
InChIKeyZWSOPGIGCLZKRA-UHFFFAOYSA-N
MW243.29 g/mol
LogP2.88
Rot. Bonds2

About N-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine-4-carboxamide

N-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine-4-carboxamide (PubChem CID 166321044) has the molecular formula C12H9N3OS and a molecular weight of 243.29 g/mol. Its IUPAC name is N-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
PubChem CID166321044
Molecular FormulaC12H9N3OS
Molecular Weight243.29 g/mol
Exact Mass243.05
IUPAC NameN-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
SMILESO=C(Nc1ccsc1)c1ccnc2[nH]ccc12
InChIInChI=1S/C12H9N3OS/c16-12(15-8-3-6-17-7-8)10-2-5-14-11-9(10)1-4-13-11/h1-7H,(H,13,14)(H,15,16)
InChIKeyZWSOPGIGCLZKRA-UHFFFAOYSA-N
XLogP2.88
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(Pyridin-3-Yl)-2-(Thiophen-3-Yl)-3h-Imidazo[4,5-B]pyridine-7-Carboxamide
CID 56603827
N-((S)-1-amino-3-phenylpropan-2-yl)-4-bromo-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide
CID 24803305
N-(1-amino-3-phenylpropan-2-yl)-4-bromo-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide
CID 24804134
Type II inhibitor, 8
CID 53348080
3-[(3-fluorophenyl)methyl]-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)thieno[2,3-d]pyrimidin-4-one
CID 156018235
N-[3-[3-(prop-2-enoylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophene-2-carboxamide
CID 168279025
N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)thiophene-2-carboxamide
CID 695176
3-Pyridinecarboxamide, N-[5-(3-thienyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-
CID 9858254
3-[1-(3-Hydroxy-propyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-4-thiophen-2-yl-pyrrole-2,5-dione
CID 9975371
N-(3-amino-1-phenylpropyl)-4-bromo-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide
CID 24802788
N-(2-amino-1-phenylethyl)-4-(pyridin-3-yl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide
CID 24803300
N-(2-amino-1-phenylethyl)-4-cyclopropyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide
CID 24803303

Frequently Asked Questions

What is the IUPAC name of N-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine-4-carboxamide?
The IUPAC name of N-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine-4-carboxamide (CID 166321044) is N-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine-4-carboxamide.
What is the SMILES notation for N-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine-4-carboxamide?
The canonical SMILES for N-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine-4-carboxamide is O=C(Nc1ccsc1)c1ccnc2[nH]ccc12.
What is the InChIKey of N-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine-4-carboxamide?
The InChIKey is ZWSOPGIGCLZKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3OS/c16-12(15-8-3-6-17-7-8)10-2-5-14-11-9(10)1-4-13-11/h1-7H,(H,13,14)(H,15,16).
What are the key properties of N-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine-4-carboxamide?
N-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine-4-carboxamide has a molecular weight of 243.29 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine-4-carboxamide is sourced from PubChem (CID 166321044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).