5-[3-(1-methylbenzimidazol-2-yl)phenyl]-N-pyridin-3-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide

C27H23N5OS — CID 127051279

IUPAC5-[3-(1-methylbenzimidazol-2-yl)phenyl]-N-pyridin-3-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
SMILESCn1c(-c2cccc(N3CCc4sc(C(=O)Nc5cccnc5)cc4C3)c2)nc2ccccc21
InChIInChI=1S/C27H23N5OS/c1-31-23-10-3-2-9-22(23)30-26(31)18-6-4-8-21(14-18)32-13-11-24-19(17-32)15-25(34-24)27(33)29-20-7-5-12-28-16-20/h2-10,12,14-16H,11,13,17H2,1H3,(H,29,33)
InChIKeyYUGZVIKQWJLOIO-UHFFFAOYSA-N
MW465.58 g/mol
LogP5.51
Rot. Bonds4

About 5-[3-(1-methylbenzimidazol-2-yl)phenyl]-N-pyridin-3-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide

5-[3-(1-methylbenzimidazol-2-yl)phenyl]-N-pyridin-3-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide (PubChem CID 127051279) has the molecular formula C27H23N5OS and a molecular weight of 465.58 g/mol. Its IUPAC name is 5-[3-(1-methylbenzimidazol-2-yl)phenyl]-N-pyridin-3-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[3-(1-methylbenzimidazol-2-yl)phenyl]-N-pyridin-3-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
PubChem CID127051279
Molecular FormulaC27H23N5OS
Molecular Weight465.58 g/mol
Exact Mass465.16
IUPAC Name5-[3-(1-methylbenzimidazol-2-yl)phenyl]-N-pyridin-3-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
SMILESCn1c(-c2cccc(N3CCc4sc(C(=O)Nc5cccnc5)cc4C3)c2)nc2ccccc21
InChIInChI=1S/C27H23N5OS/c1-31-23-10-3-2-9-22(23)30-26(31)18-6-4-8-21(14-18)32-13-11-24-19(17-32)15-25(34-24)27(33)29-20-7-5-12-28-16-20/h2-10,12,14-16H,11,13,17H2,1H3,(H,29,33)
InChIKeyYUGZVIKQWJLOIO-UHFFFAOYSA-N
XLogP5.51
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.58
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(1-methylbenzimidazol-2-yl)phenyl]-N-pyridin-3-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
The IUPAC name of 5-[3-(1-methylbenzimidazol-2-yl)phenyl]-N-pyridin-3-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide (CID 127051279) is 5-[3-(1-methylbenzimidazol-2-yl)phenyl]-N-pyridin-3-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for 5-[3-(1-methylbenzimidazol-2-yl)phenyl]-N-pyridin-3-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for 5-[3-(1-methylbenzimidazol-2-yl)phenyl]-N-pyridin-3-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide is Cn1c(-c2cccc(N3CCc4sc(C(=O)Nc5cccnc5)cc4C3)c2)nc2ccccc21.
What is the InChIKey of 5-[3-(1-methylbenzimidazol-2-yl)phenyl]-N-pyridin-3-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
The InChIKey is YUGZVIKQWJLOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N5OS/c1-31-23-10-3-2-9-22(23)30-26(31)18-6-4-8-21(14-18)32-13-11-24-19(17-32)15-25(34-24)27(33)29-20-7-5-12-28-16-20/h2-10,12,14-16H,11,13,17H2,1H3,(H,29,33).
What are the key properties of 5-[3-(1-methylbenzimidazol-2-yl)phenyl]-N-pyridin-3-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
5-[3-(1-methylbenzimidazol-2-yl)phenyl]-N-pyridin-3-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide has a molecular weight of 465.58 g/mol, XLogP of 5.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1-methylbenzimidazol-2-yl)phenyl]-N-pyridin-3-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 127051279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).