[6-[(3-fluoro-2-pyridinyl)oxymethyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-pyrrolidin-1-ylmethanone

C18H22FN5O2 — CID 133142816

IUPAC[6-[(3-fluoro-2-pyridinyl)oxymethyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(N1CCCC1)N1Cc2cncn2CC(COc2ncccc2F)C1
InChIInChI=1S/C18H22FN5O2/c19-16-4-3-5-21-17(16)26-12-14-9-23(18(25)22-6-1-2-7-22)11-15-8-20-13-24(15)10-14/h3-5,8,13-14H,1-2,6-7,9-12H2
InChIKeyMFVRJTHVAPVBCD-UHFFFAOYSA-N
MW359.41 g/mol
LogP2.14
Rot. Bonds3

About [6-[(3-fluoro-2-pyridinyl)oxymethyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-pyrrolidin-1-ylmethanone

[6-[(3-fluoro-2-pyridinyl)oxymethyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-pyrrolidin-1-ylmethanone (PubChem CID 133142816) has the molecular formula C18H22FN5O2 and a molecular weight of 359.41 g/mol. Its IUPAC name is [6-[(3-fluoro-2-pyridinyl)oxymethyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[6-[(3-fluoro-2-pyridinyl)oxymethyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-pyrrolidin-1-ylmethanone
PubChem CID133142816
Molecular FormulaC18H22FN5O2
Molecular Weight359.41 g/mol
Exact Mass359.18
IUPAC Name[6-[(3-fluoro-2-pyridinyl)oxymethyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(N1CCCC1)N1Cc2cncn2CC(COc2ncccc2F)C1
InChIInChI=1S/C18H22FN5O2/c19-16-4-3-5-21-17(16)26-12-14-9-23(18(25)22-6-1-2-7-22)11-15-8-20-13-24(15)10-14/h3-5,8,13-14H,1-2,6-7,9-12H2
InChIKeyMFVRJTHVAPVBCD-UHFFFAOYSA-N
XLogP2.14
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-[(3-fluoro-2-pyridinyl)oxymethyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [6-[(3-fluoro-2-pyridinyl)oxymethyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-pyrrolidin-1-ylmethanone (CID 133142816) is [6-[(3-fluoro-2-pyridinyl)oxymethyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [6-[(3-fluoro-2-pyridinyl)oxymethyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [6-[(3-fluoro-2-pyridinyl)oxymethyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-pyrrolidin-1-ylmethanone is O=C(N1CCCC1)N1Cc2cncn2CC(COc2ncccc2F)C1.
What is the InChIKey of [6-[(3-fluoro-2-pyridinyl)oxymethyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is MFVRJTHVAPVBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN5O2/c19-16-4-3-5-21-17(16)26-12-14-9-23(18(25)22-6-1-2-7-22)11-15-8-20-13-24(15)10-14/h3-5,8,13-14H,1-2,6-7,9-12H2.
What are the key properties of [6-[(3-fluoro-2-pyridinyl)oxymethyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-pyrrolidin-1-ylmethanone?
[6-[(3-fluoro-2-pyridinyl)oxymethyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 359.41 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(3-fluoro-2-pyridinyl)oxymethyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 133142816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).