(6R)-8-[(2-fluorophenyl)methyl]-6-(pyridin-3-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine

C20H21FN4O — CID 97487643

IUPAC(6R)-8-[(2-fluorophenyl)methyl]-6-(pyridin-3-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine
SMILESFc1ccccc1CN1Cc2cncn2C[C@H](COc2cccnc2)C1
InChIInChI=1S/C20H21FN4O/c21-20-6-2-1-4-17(20)12-24-10-16(11-25-15-23-8-18(25)13-24)14-26-19-5-3-7-22-9-19/h1-9,15-16H,10-14H2/t16-/m1/s1
InChIKeyWTAHBMKDNCPQRI-MRXNPFEDSA-N
MW352.41 g/mol
LogP3.13
Rot. Bonds5

About (6R)-8-[(2-fluorophenyl)methyl]-6-(pyridin-3-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine

(6R)-8-[(2-fluorophenyl)methyl]-6-(pyridin-3-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine (PubChem CID 97487643) has the molecular formula C20H21FN4O and a molecular weight of 352.41 g/mol. Its IUPAC name is (6R)-8-[(2-fluorophenyl)methyl]-6-(pyridin-3-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine.

Molecular Properties

Compound Name(6R)-8-[(2-fluorophenyl)methyl]-6-(pyridin-3-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine
PubChem CID97487643
Molecular FormulaC20H21FN4O
Molecular Weight352.41 g/mol
Exact Mass352.17
IUPAC Name(6R)-8-[(2-fluorophenyl)methyl]-6-(pyridin-3-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine
SMILESFc1ccccc1CN1Cc2cncn2C[C@H](COc2cccnc2)C1
InChIInChI=1S/C20H21FN4O/c21-20-6-2-1-4-17(20)12-24-10-16(11-25-15-23-8-18(25)13-24)14-26-19-5-3-7-22-9-19/h1-9,15-16H,10-14H2/t16-/m1/s1
InChIKeyWTAHBMKDNCPQRI-MRXNPFEDSA-N
XLogP3.13
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[6-[(3-fluoro-2-pyridinyl)oxymethyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-1,3-thiazole
CID 131653975
2-[[(6R)-6-(pyridin-3-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methyl]-1,3-thiazole
CID 97462413
N,N-dimethyl-2-[[(6R)-8-(pyridin-3-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-6-yl]methoxy]acetamide
CID 97485733
N-ethyl-N-[[7-[(2-fluorophenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanamine
CID 131658527
6-[[(6R)-8-benzyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-6-yl]methoxy]pyridine-3-carbonitrile
CID 97477938
2-methyl-4-[[(6R)-6-(pyridin-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-1,3-thiazole
CID 97476138
(6S)-6-(pyridin-3-yloxymethyl)-8-(thiophen-3-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
CID 97462407
[6-[(3-fluoro-2-pyridinyl)oxymethyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-(furan-3-yl)methanone
CID 133141690
(6R)-8-[(5-methylfuran-2-yl)methyl]-6-(pyridin-2-ylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine
CID 97477287
(6S)-6-(ethoxymethyl)-8-(quinolin-2-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine
CID 97474643
(6R)-6-(cyclopropylmethoxymethyl)-8-(2-phenylethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine
CID 97474391
6-[(3-fluoro-2-pyridinyl)oxymethyl]-8-methylsulfonyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine;2,2,2-trifluoroacetic acid
CID 155845736

Frequently Asked Questions

What is the IUPAC name of (6R)-8-[(2-fluorophenyl)methyl]-6-(pyridin-3-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine?
The IUPAC name of (6R)-8-[(2-fluorophenyl)methyl]-6-(pyridin-3-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine (CID 97487643) is (6R)-8-[(2-fluorophenyl)methyl]-6-(pyridin-3-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine.
What is the SMILES notation for (6R)-8-[(2-fluorophenyl)methyl]-6-(pyridin-3-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine?
The canonical SMILES for (6R)-8-[(2-fluorophenyl)methyl]-6-(pyridin-3-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine is Fc1ccccc1CN1Cc2cncn2C[C@H](COc2cccnc2)C1.
What is the InChIKey of (6R)-8-[(2-fluorophenyl)methyl]-6-(pyridin-3-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine?
The InChIKey is WTAHBMKDNCPQRI-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H21FN4O/c21-20-6-2-1-4-17(20)12-24-10-16(11-25-15-23-8-18(25)13-24)14-26-19-5-3-7-22-9-19/h1-9,15-16H,10-14H2/t16-/m1/s1.
What are the key properties of (6R)-8-[(2-fluorophenyl)methyl]-6-(pyridin-3-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine?
(6R)-8-[(2-fluorophenyl)methyl]-6-(pyridin-3-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine has a molecular weight of 352.41 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-8-[(2-fluorophenyl)methyl]-6-(pyridin-3-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine is sourced from PubChem (CID 97487643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).