(6S)-8-cyclopentyl-6-[(3-fluoro-2-pyridinyl)oxymethyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine

C18H23FN4O — CID 97477296

IUPAC(6S)-8-cyclopentyl-6-[(3-fluoro-2-pyridinyl)oxymethyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine
SMILESFc1cccnc1OC[C@H]1CN(C2CCCC2)Cc2cncn2C1
InChIInChI=1S/C18H23FN4O/c19-17-6-3-7-21-18(17)24-12-14-9-22(15-4-1-2-5-15)11-16-8-20-13-23(16)10-14/h3,6-8,13-15H,1-2,4-5,9-12H2/t14-/m0/s1
InChIKeyORJUZOIGECJXNB-AWEZNQCLSA-N
MW330.41 g/mol
LogP2.87
Rot. Bonds4

About (6S)-8-cyclopentyl-6-[(3-fluoro-2-pyridinyl)oxymethyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine

(6S)-8-cyclopentyl-6-[(3-fluoro-2-pyridinyl)oxymethyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine (PubChem CID 97477296) has the molecular formula C18H23FN4O and a molecular weight of 330.41 g/mol. Its IUPAC name is (6S)-8-cyclopentyl-6-[(3-fluoro-2-pyridinyl)oxymethyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine.

Molecular Properties

Compound Name(6S)-8-cyclopentyl-6-[(3-fluoro-2-pyridinyl)oxymethyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine
PubChem CID97477296
Molecular FormulaC18H23FN4O
Molecular Weight330.41 g/mol
Exact Mass330.19
IUPAC Name(6S)-8-cyclopentyl-6-[(3-fluoro-2-pyridinyl)oxymethyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine
SMILESFc1cccnc1OC[C@H]1CN(C2CCCC2)Cc2cncn2C1
InChIInChI=1S/C18H23FN4O/c19-17-6-3-7-21-18(17)24-12-14-9-22(15-4-1-2-5-15)11-16-8-20-13-23(16)10-14/h3,6-8,13-15H,1-2,4-5,9-12H2/t14-/m0/s1
InChIKeyORJUZOIGECJXNB-AWEZNQCLSA-N
XLogP2.87
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6S)-8-cyclopentyl-6-[(3-fluoro-2-pyridinyl)oxymethyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine?
The IUPAC name of (6S)-8-cyclopentyl-6-[(3-fluoro-2-pyridinyl)oxymethyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine (CID 97477296) is (6S)-8-cyclopentyl-6-[(3-fluoro-2-pyridinyl)oxymethyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine.
What is the SMILES notation for (6S)-8-cyclopentyl-6-[(3-fluoro-2-pyridinyl)oxymethyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine?
The canonical SMILES for (6S)-8-cyclopentyl-6-[(3-fluoro-2-pyridinyl)oxymethyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine is Fc1cccnc1OC[C@H]1CN(C2CCCC2)Cc2cncn2C1.
What is the InChIKey of (6S)-8-cyclopentyl-6-[(3-fluoro-2-pyridinyl)oxymethyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine?
The InChIKey is ORJUZOIGECJXNB-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H23FN4O/c19-17-6-3-7-21-18(17)24-12-14-9-22(15-4-1-2-5-15)11-16-8-20-13-23(16)10-14/h3,6-8,13-15H,1-2,4-5,9-12H2/t14-/m0/s1.
What are the key properties of (6S)-8-cyclopentyl-6-[(3-fluoro-2-pyridinyl)oxymethyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine?
(6S)-8-cyclopentyl-6-[(3-fluoro-2-pyridinyl)oxymethyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine has a molecular weight of 330.41 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-8-cyclopentyl-6-[(3-fluoro-2-pyridinyl)oxymethyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine is sourced from PubChem (CID 97477296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).