N-pyridin-3-yl-2-thiophen-3-yl-1H-imidazo[4,5-b]pyridine-7-carboxamide

C16H11N5OS — CID 56603827

IUPACN-pyridin-3-yl-2-thiophen-3-yl-1H-imidazo[4,5-b]pyridine-7-carboxamide
SMILESO=C(Nc1cccnc1)c1ccnc2nc(-c3ccsc3)[nH]c12
InChIInChI=1S/C16H11N5OS/c22-16(19-11-2-1-5-17-8-11)12-3-6-18-15-13(12)20-14(21-15)10-4-7-23-9-10/h1-9H,(H,19,22)(H,18,20,21)
InChIKeyNMYRPXBRICOTPO-UHFFFAOYSA-N
MW321.37 g/mol
LogP3.33
Rot. Bonds3

About N-pyridin-3-yl-2-thiophen-3-yl-1H-imidazo[4,5-b]pyridine-7-carboxamide

N-pyridin-3-yl-2-thiophen-3-yl-1H-imidazo[4,5-b]pyridine-7-carboxamide (PubChem CID 56603827) has the molecular formula C16H11N5OS and a molecular weight of 321.37 g/mol. Its IUPAC name is N-pyridin-3-yl-2-thiophen-3-yl-1H-imidazo[4,5-b]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-pyridin-3-yl-2-thiophen-3-yl-1H-imidazo[4,5-b]pyridine-7-carboxamide
PubChem CID56603827
Molecular FormulaC16H11N5OS
Molecular Weight321.37 g/mol
Exact Mass321.07
IUPAC NameN-pyridin-3-yl-2-thiophen-3-yl-1H-imidazo[4,5-b]pyridine-7-carboxamide
SMILESO=C(Nc1cccnc1)c1ccnc2nc(-c3ccsc3)[nH]c12
InChIInChI=1S/C16H11N5OS/c22-16(19-11-2-1-5-17-8-11)12-3-6-18-15-13(12)20-14(21-15)10-4-7-23-9-10/h1-9H,(H,19,22)(H,18,20,21)
InChIKeyNMYRPXBRICOTPO-UHFFFAOYSA-N
XLogP3.33
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-pyridin-3-yl-2-thiophen-3-yl-1H-imidazo[4,5-b]pyridine-7-carboxamide?
The IUPAC name of N-pyridin-3-yl-2-thiophen-3-yl-1H-imidazo[4,5-b]pyridine-7-carboxamide (CID 56603827) is N-pyridin-3-yl-2-thiophen-3-yl-1H-imidazo[4,5-b]pyridine-7-carboxamide.
What is the SMILES notation for N-pyridin-3-yl-2-thiophen-3-yl-1H-imidazo[4,5-b]pyridine-7-carboxamide?
The canonical SMILES for N-pyridin-3-yl-2-thiophen-3-yl-1H-imidazo[4,5-b]pyridine-7-carboxamide is O=C(Nc1cccnc1)c1ccnc2nc(-c3ccsc3)[nH]c12.
What is the InChIKey of N-pyridin-3-yl-2-thiophen-3-yl-1H-imidazo[4,5-b]pyridine-7-carboxamide?
The InChIKey is NMYRPXBRICOTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N5OS/c22-16(19-11-2-1-5-17-8-11)12-3-6-18-15-13(12)20-14(21-15)10-4-7-23-9-10/h1-9H,(H,19,22)(H,18,20,21).
What are the key properties of N-pyridin-3-yl-2-thiophen-3-yl-1H-imidazo[4,5-b]pyridine-7-carboxamide?
N-pyridin-3-yl-2-thiophen-3-yl-1H-imidazo[4,5-b]pyridine-7-carboxamide has a molecular weight of 321.37 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-3-yl-2-thiophen-3-yl-1H-imidazo[4,5-b]pyridine-7-carboxamide is sourced from PubChem (CID 56603827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).