CID 71156365

C19H23BFN6O — CID 71156365

IUPAC—
SMILESOCC1CCCCC1Nc1cn2c([B]F)cnc2c(NCc2cccnc2)n1
InChIInChI=1S/C19H23BFN6O/c21-20-16-10-24-19-18(23-9-13-4-3-7-22-8-13)26-17(11-27(16)19)25-15-6-2-1-5-14(15)12-28/h3-4,7-8,10-11,14-15,25,28H,1-2,5-6,9,12H2,(H,23,26)
InChIKeyVJHBPTUQCXMFHD-UHFFFAOYSA-N
MW381.24 g/mol
LogP1.91
Rot. Bonds7

About CID 71156365

CID 71156365 (PubChem CID 71156365) has the molecular formula C19H23BFN6O and a molecular weight of 381.24 g/mol.

Molecular Properties

Compound NameCID 71156365
PubChem CID71156365
Molecular FormulaC19H23BFN6O
Molecular Weight381.24 g/mol
Exact Mass381.20
IUPAC Name—
SMILESOCC1CCCCC1Nc1cn2c([B]F)cnc2c(NCc2cccnc2)n1
InChIInChI=1S/C19H23BFN6O/c21-20-16-10-24-19-18(23-9-13-4-3-7-22-8-13)26-17(11-27(16)19)25-15-6-2-1-5-14(15)12-28/h3-4,7-8,10-11,14-15,25,28H,1-2,5-6,9,12H2,(H,23,26)
InChIKeyVJHBPTUQCXMFHD-UHFFFAOYSA-N
XLogP1.91
TPSA87.37 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.24
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 71156365?
The IUPAC name of CID 71156365 (CID 71156365) is not available.
What is the SMILES notation for CID 71156365?
The canonical SMILES for CID 71156365 is OCC1CCCCC1Nc1cn2c([B]F)cnc2c(NCc2cccnc2)n1.
What is the InChIKey of CID 71156365?
The InChIKey is VJHBPTUQCXMFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BFN6O/c21-20-16-10-24-19-18(23-9-13-4-3-7-22-8-13)26-17(11-27(16)19)25-15-6-2-1-5-14(15)12-28/h3-4,7-8,10-11,14-15,25,28H,1-2,5-6,9,12H2,(H,23,26).
What are the key properties of CID 71156365?
CID 71156365 has a molecular weight of 381.24 g/mol, XLogP of 1.91, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 71156365 is sourced from PubChem (CID 71156365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).