6-(cyclopropylmethoxymethyl)-8-(furan-3-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine;2,2,2-trifluoroacetic acid

C19H24F3N3O4 — CID 155824494

IUPAC6-(cyclopropylmethoxymethyl)-8-(furan-3-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1cc(CN2Cc3cncn3CC(COCC3CC3)C2)co1
InChIInChI=1S/C17H23N3O2.C2HF3O2/c1-2-14(1)10-22-12-16-7-19(6-15-3-4-21-11-15)9-17-5-18-13-20(17)8-16;3-2(4,5)1(6)7/h3-5,11,13-14,16H,1-2,6-10,12H2;(H,6,7)
InChIKeyBZHYEZRFMRGZPA-UHFFFAOYSA-N
MW415.41 g/mol
LogP3.17
Rot. Bonds6

About 6-(cyclopropylmethoxymethyl)-8-(furan-3-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine;2,2,2-trifluoroacetic acid

6-(cyclopropylmethoxymethyl)-8-(furan-3-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine;2,2,2-trifluoroacetic acid (PubChem CID 155824494) has the molecular formula C19H24F3N3O4 and a molecular weight of 415.41 g/mol. Its IUPAC name is 6-(cyclopropylmethoxymethyl)-8-(furan-3-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name6-(cyclopropylmethoxymethyl)-8-(furan-3-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine;2,2,2-trifluoroacetic acid
PubChem CID155824494
Molecular FormulaC19H24F3N3O4
Molecular Weight415.41 g/mol
Exact Mass415.17
IUPAC Name6-(cyclopropylmethoxymethyl)-8-(furan-3-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1cc(CN2Cc3cncn3CC(COCC3CC3)C2)co1
InChIInChI=1S/C17H23N3O2.C2HF3O2/c1-2-14(1)10-22-12-16-7-19(6-15-3-4-21-11-15)9-17-5-18-13-20(17)8-16;3-2(4,5)1(6)7/h3-5,11,13-14,16H,1-2,6-10,12H2;(H,6,7)
InChIKeyBZHYEZRFMRGZPA-UHFFFAOYSA-N
XLogP3.17
TPSA80.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.41
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylmethoxymethyl)-8-(furan-3-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine;2,2,2-trifluoroacetic acid?
The IUPAC name of 6-(cyclopropylmethoxymethyl)-8-(furan-3-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine;2,2,2-trifluoroacetic acid (CID 155824494) is 6-(cyclopropylmethoxymethyl)-8-(furan-3-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 6-(cyclopropylmethoxymethyl)-8-(furan-3-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 6-(cyclopropylmethoxymethyl)-8-(furan-3-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.c1cc(CN2Cc3cncn3CC(COCC3CC3)C2)co1.
What is the InChIKey of 6-(cyclopropylmethoxymethyl)-8-(furan-3-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine;2,2,2-trifluoroacetic acid?
The InChIKey is BZHYEZRFMRGZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2.C2HF3O2/c1-2-14(1)10-22-12-16-7-19(6-15-3-4-21-11-15)9-17-5-18-13-20(17)8-16;3-2(4,5)1(6)7/h3-5,11,13-14,16H,1-2,6-10,12H2;(H,6,7).
What are the key properties of 6-(cyclopropylmethoxymethyl)-8-(furan-3-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine;2,2,2-trifluoroacetic acid?
6-(cyclopropylmethoxymethyl)-8-(furan-3-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine;2,2,2-trifluoroacetic acid has a molecular weight of 415.41 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylmethoxymethyl)-8-(furan-3-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155824494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).