CID 163371521

C17H15BF2N4O2 — CID 163371521

IUPAC—
SMILES[B]c1ccc2c(c1)C(C(C)F)CN(CC(=O)Nc1ncc(F)cn1)C2=O
InChIInChI=1S/C17H15BF2N4O2/c1-9(19)14-7-24(16(26)12-3-2-10(18)4-13(12)14)8-15(25)23-17-21-5-11(20)6-22-17/h2-6,9,14H,7-8H2,1H3,(H,21,22,23,25)
InChIKeyVGPBUYLXRBISBU-UHFFFAOYSA-N
MW356.14 g/mol
LogP0.95
Rot. Bonds4

About CID 163371521

CID 163371521 (PubChem CID 163371521) has the molecular formula C17H15BF2N4O2 and a molecular weight of 356.14 g/mol.

Molecular Properties

Compound NameCID 163371521
PubChem CID163371521
Molecular FormulaC17H15BF2N4O2
Molecular Weight356.14 g/mol
Exact Mass356.13
IUPAC Name—
SMILES[B]c1ccc2c(c1)C(C(C)F)CN(CC(=O)Nc1ncc(F)cn1)C2=O
InChIInChI=1S/C17H15BF2N4O2/c1-9(19)14-7-24(16(26)12-3-2-10(18)4-13(12)14)8-15(25)23-17-21-5-11(20)6-22-17/h2-6,9,14H,7-8H2,1H3,(H,21,22,23,25)
InChIKeyVGPBUYLXRBISBU-UHFFFAOYSA-N
XLogP0.95
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.14
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4R)-6-bromo-4-[(1R)-1-fluoroethyl]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N-(5-fluoropyrimidin-2-yl)acetamide
CID 163371613
CID 166106307
CID 166106307
2-[6-bromo-4-(difluoromethyl)-1-oxo-3,4-dihydroisoquinolin-2-yl]-N-(5-fluoropyrimidin-2-yl)acetamide
CID 163371885
2-(6-bromo-1-oxo-3,4-dihydroisoquinolin-2-yl)-N-(5-fluoropyrimidin-2-yl)acetamide
CID 163371440
2-(6-bromo-1-oxospiro[3H-isoquinoline-4,1'-cyclopropane]-2-yl)-N-(5-fluoropyrimidin-2-yl)acetamide
CID 163371837
2-[4-(1-fluorocyclopropyl)-8-oxo-9-azatricyclo[8.1.1.02,7]dodeca-2(7),3,5-trien-9-yl]-N-(5-fluoropyrimidin-2-yl)acetamide;molecular hydrogen
CID 172622850
2-[(2'R,4R)-6-chloro-2',5-difluoro-1-oxospiro[3H-isoquinoline-4,1'-cyclopropane]-2-yl]-N-(5-fluoropyrimidin-2-yl)acetamide
CID 163371681
2-(6-cyano-1-oxospiro[3H-isoquinoline-4,1'-cyclopropane]-2-yl)-N-(5-fluoropyrimidin-2-yl)acetamide
CID 163371391
2-[1',1'-difluoro-6-(1-fluorocyclopropyl)-1-oxospiro[3H-isoquinoline-4,2'-cyclopropane]-2-yl]-N-(5-fluoropyrimidin-2-yl)acetamide
CID 169212134
2-[(4S)-6-bromo-1',1',5-trifluoro-1-oxospiro[3H-isoquinoline-4,2'-cyclopropane]-2-yl]-N-(5-fluoropyrimidin-2-yl)acetamide
CID 163371330
N-(5-chloropyrimidin-2-yl)-2-(6-methyl-1-oxo-3,4-dihydroisoquinolin-2-yl)acetamide;ethane
CID 169212369
2-(2-cyclopropyl-5-oxo-8-propan-2-ylpyrido[2,3-d]pyridazin-6-yl)-N-(5-fluoropyrimidin-2-yl)acetamide
CID 172632646

Frequently Asked Questions

What is the IUPAC name of CID 163371521?
The IUPAC name of CID 163371521 (CID 163371521) is not available.
What is the SMILES notation for CID 163371521?
The canonical SMILES for CID 163371521 is [B]c1ccc2c(c1)C(C(C)F)CN(CC(=O)Nc1ncc(F)cn1)C2=O.
What is the InChIKey of CID 163371521?
The InChIKey is VGPBUYLXRBISBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BF2N4O2/c1-9(19)14-7-24(16(26)12-3-2-10(18)4-13(12)14)8-15(25)23-17-21-5-11(20)6-22-17/h2-6,9,14H,7-8H2,1H3,(H,21,22,23,25).
What are the key properties of CID 163371521?
CID 163371521 has a molecular weight of 356.14 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163371521 is sourced from PubChem (CID 163371521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).