6-[(3-fluoro-2-pyridinyl)oxymethyl]-6,7,8,9-tetrahydro-5H-imidazo[1,5-a][1,4]diazepine

C13H15FN4O — CID 131647224

IUPAC6-[(3-fluoro-2-pyridinyl)oxymethyl]-6,7,8,9-tetrahydro-5H-imidazo[1,5-a][1,4]diazepine
SMILESFc1cccnc1OCC1CNCc2cncn2C1
InChIInChI=1S/C13H15FN4O/c14-12-2-1-3-17-13(12)19-8-10-4-15-5-11-6-16-9-18(11)7-10/h1-3,6,9-10,15H,4-5,7-8H2
InChIKeyDJNFIHVQPVUDCW-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.22
Rot. Bonds3

About 6-[(3-fluoro-2-pyridinyl)oxymethyl]-6,7,8,9-tetrahydro-5H-imidazo[1,5-a][1,4]diazepine

6-[(3-fluoro-2-pyridinyl)oxymethyl]-6,7,8,9-tetrahydro-5H-imidazo[1,5-a][1,4]diazepine (PubChem CID 131647224) has the molecular formula C13H15FN4O and a molecular weight of 262.29 g/mol. Its IUPAC name is 6-[(3-fluoro-2-pyridinyl)oxymethyl]-6,7,8,9-tetrahydro-5H-imidazo[1,5-a][1,4]diazepine.

Molecular Properties

Compound Name6-[(3-fluoro-2-pyridinyl)oxymethyl]-6,7,8,9-tetrahydro-5H-imidazo[1,5-a][1,4]diazepine
PubChem CID131647224
Molecular FormulaC13H15FN4O
Molecular Weight262.29 g/mol
Exact Mass262.12
IUPAC Name6-[(3-fluoro-2-pyridinyl)oxymethyl]-6,7,8,9-tetrahydro-5H-imidazo[1,5-a][1,4]diazepine
SMILESFc1cccnc1OCC1CNCc2cncn2C1
InChIInChI=1S/C13H15FN4O/c14-12-2-1-3-17-13(12)19-8-10-4-15-5-11-6-16-9-18(11)7-10/h1-3,6,9-10,15H,4-5,7-8H2
InChIKeyDJNFIHVQPVUDCW-UHFFFAOYSA-N
XLogP1.22
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-fluoro-2-pyridinyl)oxymethyl]-6,7,8,9-tetrahydro-5H-imidazo[1,5-a][1,4]diazepine?
The IUPAC name of 6-[(3-fluoro-2-pyridinyl)oxymethyl]-6,7,8,9-tetrahydro-5H-imidazo[1,5-a][1,4]diazepine (CID 131647224) is 6-[(3-fluoro-2-pyridinyl)oxymethyl]-6,7,8,9-tetrahydro-5H-imidazo[1,5-a][1,4]diazepine.
What is the SMILES notation for 6-[(3-fluoro-2-pyridinyl)oxymethyl]-6,7,8,9-tetrahydro-5H-imidazo[1,5-a][1,4]diazepine?
The canonical SMILES for 6-[(3-fluoro-2-pyridinyl)oxymethyl]-6,7,8,9-tetrahydro-5H-imidazo[1,5-a][1,4]diazepine is Fc1cccnc1OCC1CNCc2cncn2C1.
What is the InChIKey of 6-[(3-fluoro-2-pyridinyl)oxymethyl]-6,7,8,9-tetrahydro-5H-imidazo[1,5-a][1,4]diazepine?
The InChIKey is DJNFIHVQPVUDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O/c14-12-2-1-3-17-13(12)19-8-10-4-15-5-11-6-16-9-18(11)7-10/h1-3,6,9-10,15H,4-5,7-8H2.
What are the key properties of 6-[(3-fluoro-2-pyridinyl)oxymethyl]-6,7,8,9-tetrahydro-5H-imidazo[1,5-a][1,4]diazepine?
6-[(3-fluoro-2-pyridinyl)oxymethyl]-6,7,8,9-tetrahydro-5H-imidazo[1,5-a][1,4]diazepine has a molecular weight of 262.29 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-fluoro-2-pyridinyl)oxymethyl]-6,7,8,9-tetrahydro-5H-imidazo[1,5-a][1,4]diazepine is sourced from PubChem (CID 131647224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).