CID 174028328

C18H9B7N6O2 — CID 174028328

IUPAC—
SMILES[B]c1ccc(NC(=O)Cn2c(=O)c3ccc(C([B])([B])[B])nc3n3nc(C([B])([B])[B])cc23)nc1
InChIInChI=1S/C18H9B7N6O2/c19-8-1-4-12(26-6-8)28-13(32)7-30-14-5-11(18(23,24)25)29-31(14)15-9(16(30)33)2-3-10(27-15)17(20,21)22/h1-6H,7H2,(H,26,28,32)
InChIKeyYRJWSWBLWVJPCD-UHFFFAOYSA-N
MW416.99 g/mol
LogP-2.90
Rot. Bonds5

About CID 174028328

CID 174028328 (PubChem CID 174028328) has the molecular formula C18H9B7N6O2 and a molecular weight of 416.99 g/mol.

Molecular Properties

Compound NameCID 174028328
PubChem CID174028328
Molecular FormulaC18H9B7N6O2
Molecular Weight416.99 g/mol
Exact Mass418.14
IUPAC Name—
SMILES[B]c1ccc(NC(=O)Cn2c(=O)c3ccc(C([B])([B])[B])nc3n3nc(C([B])([B])[B])cc23)nc1
InChIInChI=1S/C18H9B7N6O2/c19-8-1-4-12(26-6-8)28-13(32)7-30-14-5-11(18(23,24)25)29-31(14)15-9(16(30)33)2-3-10(27-15)17(20,21)22/h1-6H,7H2,(H,26,28,32)
InChIKeyYRJWSWBLWVJPCD-UHFFFAOYSA-N
XLogP-2.90
TPSA94.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.99
LogP ≤ 5-2.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze CID 174028328 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-tert-butyl-8-oxo-12-propan-2-yl-2,6,7,13-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3,5,10,12-pentaen-2-yl)-N-(5-fluoro-2-pyridinyl)acetamide
CID 175115938
2-[5-tert-butyl-8-oxo-12-(2,2,2-trifluoroethoxy)-2,6,7,13-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3,5,10,12-pentaen-2-yl]-N-(5-fluoro-2-pyridinyl)acetamide
CID 156704074
2-[5-tert-butyl-8-oxo-12-(propan-2-ylamino)-2,6,7,11,13-pentazatricyclo[7.4.0.03,7]trideca-1(13),3,5,9,11-pentaen-2-yl]-N-(5-fluoro-2-pyridinyl)acetamide
CID 175121316
2-[5-(cyclopropylamino)-8-oxo-2,6,7,13-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3,5,10,12-pentaen-2-yl]-N-(5-fluoro-2-pyridinyl)acetamide
CID 175354076
N-(5-fluoro-2-pyridinyl)-2-(8-oxo-5-prop-1-en-2-yl-2,6,7,13-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3,5,10,12-pentaen-2-yl)acetamide
CID 156703976
N-(5-fluoro-2-pyridinyl)-2-[12-methyl-8-oxo-5-(thian-4-yl)-2,6,7,13-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3,5,10,12-pentaen-2-yl]acetamide
CID 156704054
2-[11-tert-butyl-5-(oxan-4-yl)-2,6-dioxo-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-trien-8-yl]-N-(5-fluoro-2-pyridinyl)acetamide
CID 148723829
N-(5-fluoro-2-pyridinyl)-2-[8-oxo-5-(oxolan-3-ylamino)-2,6,7,13-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3,5,10,12-pentaen-2-yl]acetamide
CID 156704070
[1-[4-cyano-8-oxo-12-(trifluoromethyl)-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-yl]-2-[(5-fluoro-2-pyridinyl)amino]-2-oxoethyl] ethanesulfonate
CID 174224964
2-(12-cyano-5-cyclopropyl-8-oxo-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-yl)-N-(5-fluoro-2-pyridinyl)acetamide
CID 168948998
2-(5-cyclohexyl-11-methyl-8-oxo-2,6,7,13-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3,5,10,12-pentaen-2-yl)-N-(5-fluoro-2-pyridinyl)acetamide
CID 175117311
N-(2-chloro-4-fluorophenyl)-2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide
CID 38665433

Frequently Asked Questions

What is the IUPAC name of CID 174028328?
The IUPAC name of CID 174028328 (CID 174028328) is not available.
What is the SMILES notation for CID 174028328?
The canonical SMILES for CID 174028328 is [B]c1ccc(NC(=O)Cn2c(=O)c3ccc(C([B])([B])[B])nc3n3nc(C([B])([B])[B])cc23)nc1.
What is the InChIKey of CID 174028328?
The InChIKey is YRJWSWBLWVJPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9B7N6O2/c19-8-1-4-12(26-6-8)28-13(32)7-30-14-5-11(18(23,24)25)29-31(14)15-9(16(30)33)2-3-10(27-15)17(20,21)22/h1-6H,7H2,(H,26,28,32).
What are the key properties of CID 174028328?
CID 174028328 has a molecular weight of 416.99 g/mol, XLogP of -2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174028328 is sourced from PubChem (CID 174028328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).