2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-[(1R)-1-cyano-1-cyclopropylethyl]acetamide

C14H14ClN5OS — CID 7624601

IUPAC2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-[(1R)-1-cyano-1-cyclopropylethyl]acetamide
SMILESC[C@@](C#N)(NC(=O)CSc1nc2ncc(Cl)cc2[nH]1)C1CC1
InChIInChI=1S/C14H14ClN5OS/c1-14(7-16,8-2-3-8)20-11(21)6-22-13-18-10-4-9(15)5-17-12(10)19-13/h4-5,8H,2-3,6H2,1H3,(H,20,21)(H,17,18,19)/t14-/m0/s1
InChIKeyGKEAXVRJBXXQDM-AWEZNQCLSA-N
MW335.82 g/mol
LogP2.51
Rot. Bonds5

About 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-[(1R)-1-cyano-1-cyclopropylethyl]acetamide

2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-[(1R)-1-cyano-1-cyclopropylethyl]acetamide (PubChem CID 7624601) has the molecular formula C14H14ClN5OS and a molecular weight of 335.82 g/mol. Its IUPAC name is 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-[(1R)-1-cyano-1-cyclopropylethyl]acetamide.

Molecular Properties

Compound Name2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-[(1R)-1-cyano-1-cyclopropylethyl]acetamide
PubChem CID7624601
Molecular FormulaC14H14ClN5OS
Molecular Weight335.82 g/mol
Exact Mass335.06
IUPAC Name2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-[(1R)-1-cyano-1-cyclopropylethyl]acetamide
SMILESC[C@@](C#N)(NC(=O)CSc1nc2ncc(Cl)cc2[nH]1)C1CC1
InChIInChI=1S/C14H14ClN5OS/c1-14(7-16,8-2-3-8)20-11(21)6-22-13-18-10-4-9(15)5-17-12(10)19-13/h4-5,8H,2-3,6H2,1H3,(H,20,21)(H,17,18,19)/t14-/m0/s1
InChIKeyGKEAXVRJBXXQDM-AWEZNQCLSA-N
XLogP2.51
TPSA94.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.82
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-[(1R)-1-cyano-1-cyclopropylethyl]acetamide?
The IUPAC name of 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-[(1R)-1-cyano-1-cyclopropylethyl]acetamide (CID 7624601) is 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-[(1R)-1-cyano-1-cyclopropylethyl]acetamide.
What is the SMILES notation for 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-[(1R)-1-cyano-1-cyclopropylethyl]acetamide?
The canonical SMILES for 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-[(1R)-1-cyano-1-cyclopropylethyl]acetamide is C[C@@](C#N)(NC(=O)CSc1nc2ncc(Cl)cc2[nH]1)C1CC1.
What is the InChIKey of 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-[(1R)-1-cyano-1-cyclopropylethyl]acetamide?
The InChIKey is GKEAXVRJBXXQDM-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H14ClN5OS/c1-14(7-16,8-2-3-8)20-11(21)6-22-13-18-10-4-9(15)5-17-12(10)19-13/h4-5,8H,2-3,6H2,1H3,(H,20,21)(H,17,18,19)/t14-/m0/s1.
What are the key properties of 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-[(1R)-1-cyano-1-cyclopropylethyl]acetamide?
2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-[(1R)-1-cyano-1-cyclopropylethyl]acetamide has a molecular weight of 335.82 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-[(1R)-1-cyano-1-cyclopropylethyl]acetamide is sourced from PubChem (CID 7624601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).