HI-Topk-032

C20H11N5OS — CID 1936439

IUPACN-(12-cyanoindolizino[2,3-b]quinoxalin-2-yl)thiophene-2-carboxamide
SMILESC1=CC=C2C(=C1)N=C3C(=C4C=C(C=CN4C3=N2)NC(=O)C5=CC=CS5)C#N
InChIInChI=1S/C20H11N5OS/c21-11-13-16-10-12(22-20(26)17-6-3-9-27-17)7-8-25(16)19-18(13)23-14-4-1-2-5-15(14)24-19/h1-10H,(H,22,26)
InChIKeyBCSBXWKRZUPFHW-UHFFFAOYSA-N
MW369.40 g/mol
LogP4.10
Rot. Bonds2

About HI-Topk-032

HI-Topk-032 (PubChem CID 1936439) has the molecular formula C20H11N5OS and a molecular weight of 369.40 g/mol. Its IUPAC name is N-(12-cyanoindolizino[2,3-b]quinoxalin-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameHI-Topk-032
PubChem CID1936439
Molecular FormulaC20H11N5OS
Molecular Weight369.40 g/mol
Exact Mass369.07
IUPAC NameN-(12-cyanoindolizino[2,3-b]quinoxalin-2-yl)thiophene-2-carboxamide
SMILESC1=CC=C2C(=C1)N=C3C(=C4C=C(C=CN4C3=N2)NC(=O)C5=CC=CS5)C#N
InChIInChI=1S/C20H11N5OS/c21-11-13-16-10-12(22-20(26)17-6-3-9-27-17)7-8-25(16)19-18(13)23-14-4-1-2-5-15(14)24-19/h1-10H,(H,22,26)
InChIKeyBCSBXWKRZUPFHW-UHFFFAOYSA-N
XLogP4.10
TPSA111.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity635

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-(pyridin-2-yl)thiophene-2-carboxamide
CID 11237786
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-(pyridin-4-yl)thiophene-2-carboxamide
CID 11489351
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-(pyridin-3-yl)thiophene-2-carboxamide
CID 25190527
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-(pyrazin-2-yl)thiophene-2-carboxamide
CID 25190535
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-(2-cyanopyridin-4-yl)thiophene-2-carboxamide
CID 25190540
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-(2-fluoropyridin-4-yl)thiophene-2-carboxamide
CID 25190541
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-(6-cyanopyridin-3-yl)thiophene-2-carboxamide
CID 25190542
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-(6-fluoropyridin-3-yl)thiophene-2-carboxamide
CID 25190543
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-(5-cyanopyridin-3-yl)thiophene-2-carboxamide
CID 25190544
N-(Pyridin-3-Yl)-2-(Thiophen-3-Yl)-3h-Imidazo[4,5-B]pyridine-7-Carboxamide
CID 56603827
N-Cyclopropyl-4-{8-[(Thiophen-2-Ylmethyl)amino]imidazo[1,2-A]pyrazin-3-Yl}benzamide
CID 57382314
5-(2-amino-4-pyridinyl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide
CID 134277647

Frequently Asked Questions

What is the IUPAC name of HI-Topk-032?
The IUPAC name of HI-Topk-032 (CID 1936439) is N-(12-cyanoindolizino[2,3-b]quinoxalin-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for HI-Topk-032?
The canonical SMILES for HI-Topk-032 is C1=CC=C2C(=C1)N=C3C(=C4C=C(C=CN4C3=N2)NC(=O)C5=CC=CS5)C#N.
What is the InChIKey of HI-Topk-032?
The InChIKey is BCSBXWKRZUPFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11N5OS/c21-11-13-16-10-12(22-20(26)17-6-3-9-27-17)7-8-25(16)19-18(13)23-14-4-1-2-5-15(14)24-19/h1-10H,(H,22,26).
What are the key properties of HI-Topk-032?
HI-Topk-032 has a molecular weight of 369.40 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for HI-Topk-032 is sourced from PubChem (CID 1936439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).