5-(7-chlorothieno[3,2-b]pyridin-2-yl)-N,1-dimethyl-N-(pyridin-4-ylmethyl)imidazole-2-carboxamide

C19H16ClN5OS — CID 70158420

IUPAC5-(7-chlorothieno[3,2-b]pyridin-2-yl)-N,1-dimethyl-N-(pyridin-4-ylmethyl)imidazole-2-carboxamide
SMILESCN(Cc1ccncc1)C(=O)c1ncc(-c2cc3nccc(Cl)c3s2)n1C
InChIInChI=1S/C19H16ClN5OS/c1-24(11-12-3-6-21-7-4-12)19(26)18-23-10-15(25(18)2)16-9-14-17(27-16)13(20)5-8-22-14/h3-10H,11H2,1-2H3
InChIKeyRYZIDFMMKILYJC-UHFFFAOYSA-N
MW397.89 g/mol
LogP4.02
Rot. Bonds4

About 5-(7-chlorothieno[3,2-b]pyridin-2-yl)-N,1-dimethyl-N-(pyridin-4-ylmethyl)imidazole-2-carboxamide

5-(7-chlorothieno[3,2-b]pyridin-2-yl)-N,1-dimethyl-N-(pyridin-4-ylmethyl)imidazole-2-carboxamide (PubChem CID 70158420) has the molecular formula C19H16ClN5OS and a molecular weight of 397.89 g/mol. Its IUPAC name is 5-(7-chlorothieno[3,2-b]pyridin-2-yl)-N,1-dimethyl-N-(pyridin-4-ylmethyl)imidazole-2-carboxamide.

Molecular Properties

Compound Name5-(7-chlorothieno[3,2-b]pyridin-2-yl)-N,1-dimethyl-N-(pyridin-4-ylmethyl)imidazole-2-carboxamide
PubChem CID70158420
Molecular FormulaC19H16ClN5OS
Molecular Weight397.89 g/mol
Exact Mass397.08
IUPAC Name5-(7-chlorothieno[3,2-b]pyridin-2-yl)-N,1-dimethyl-N-(pyridin-4-ylmethyl)imidazole-2-carboxamide
SMILESCN(Cc1ccncc1)C(=O)c1ncc(-c2cc3nccc(Cl)c3s2)n1C
InChIInChI=1S/C19H16ClN5OS/c1-24(11-12-3-6-21-7-4-12)19(26)18-23-10-15(25(18)2)16-9-14-17(27-16)13(20)5-8-22-14/h3-10H,11H2,1-2H3
InChIKeyRYZIDFMMKILYJC-UHFFFAOYSA-N
XLogP4.02
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.89
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(7-chlorothieno[3,2-b]pyridin-2-yl)-N,1-dimethyl-N-(pyridin-4-ylmethyl)imidazole-2-carboxamide?
The IUPAC name of 5-(7-chlorothieno[3,2-b]pyridin-2-yl)-N,1-dimethyl-N-(pyridin-4-ylmethyl)imidazole-2-carboxamide (CID 70158420) is 5-(7-chlorothieno[3,2-b]pyridin-2-yl)-N,1-dimethyl-N-(pyridin-4-ylmethyl)imidazole-2-carboxamide.
What is the SMILES notation for 5-(7-chlorothieno[3,2-b]pyridin-2-yl)-N,1-dimethyl-N-(pyridin-4-ylmethyl)imidazole-2-carboxamide?
The canonical SMILES for 5-(7-chlorothieno[3,2-b]pyridin-2-yl)-N,1-dimethyl-N-(pyridin-4-ylmethyl)imidazole-2-carboxamide is CN(Cc1ccncc1)C(=O)c1ncc(-c2cc3nccc(Cl)c3s2)n1C.
What is the InChIKey of 5-(7-chlorothieno[3,2-b]pyridin-2-yl)-N,1-dimethyl-N-(pyridin-4-ylmethyl)imidazole-2-carboxamide?
The InChIKey is RYZIDFMMKILYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5OS/c1-24(11-12-3-6-21-7-4-12)19(26)18-23-10-15(25(18)2)16-9-14-17(27-16)13(20)5-8-22-14/h3-10H,11H2,1-2H3.
What are the key properties of 5-(7-chlorothieno[3,2-b]pyridin-2-yl)-N,1-dimethyl-N-(pyridin-4-ylmethyl)imidazole-2-carboxamide?
5-(7-chlorothieno[3,2-b]pyridin-2-yl)-N,1-dimethyl-N-(pyridin-4-ylmethyl)imidazole-2-carboxamide has a molecular weight of 397.89 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-chlorothieno[3,2-b]pyridin-2-yl)-N,1-dimethyl-N-(pyridin-4-ylmethyl)imidazole-2-carboxamide is sourced from PubChem (CID 70158420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).