pyrazolidin-3-yl-[1-(pyridin-3-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone

C17H22N6O2 — CID 134072047

IUPACpyrazolidin-3-yl-[1-(pyridin-3-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone
SMILESO=C(C1CCNN1)N1CCCn2cnc(COc3cccnc3)c2C1
InChIInChI=1S/C17H22N6O2/c24-17(14-4-6-20-21-14)22-7-2-8-23-12-19-15(16(23)10-22)11-25-13-3-1-5-18-9-13/h1,3,5,9,12,14,20-21H,2,4,6-8,10-11H2
InChIKeyFVHFDNUBCQYIDS-UHFFFAOYSA-N
MW342.40 g/mol
LogP0.46
Rot. Bonds4

About pyrazolidin-3-yl-[1-(pyridin-3-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone

pyrazolidin-3-yl-[1-(pyridin-3-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone (PubChem CID 134072047) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is pyrazolidin-3-yl-[1-(pyridin-3-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone.

Molecular Properties

Compound Namepyrazolidin-3-yl-[1-(pyridin-3-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone
PubChem CID134072047
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Namepyrazolidin-3-yl-[1-(pyridin-3-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone
SMILESO=C(C1CCNN1)N1CCCn2cnc(COc3cccnc3)c2C1
InChIInChI=1S/C17H22N6O2/c24-17(14-4-6-20-21-14)22-7-2-8-23-12-19-15(16(23)10-22)11-25-13-3-1-5-18-9-13/h1,3,5,9,12,14,20-21H,2,4,6-8,10-11H2
InChIKeyFVHFDNUBCQYIDS-UHFFFAOYSA-N
XLogP0.46
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

furan-2-yl-[3-(pyridin-3-yloxymethyl)-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepin-5-yl]methanone
CID 97405226
2-hydroxy-1-[3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]ethanone
CID 97405941
2-pyridin-3-yloxy-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone
CID 122255663
1-[(3R)-3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-2-pyridin-3-yloxyethanone
CID 125012200
1-[(3S)-3-benzoylpiperidin-1-yl]-2-pyridin-3-yloxyethanone
CID 124751798
1-(2-pyridin-3-yloxyacetyl)pyrrolidine-3-carboxylic acid
CID 119353905
(4-methylcyclohexyl)-[1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone
CID 131682998
5-(cyclopropylmethyl)-1-methyl-3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 118746640
2-[1-[3-(pyridin-3-yloxymethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl]cyclobutyl]acetic acid
CID 131684879
1-(cyclopropylmethoxymethyl)-8-(pyridin-4-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine
CID 97381677
2-[2-(pyridin-3-yloxymethyl)-1,3-thiazol-4-yl]-1-pyrrolidin-1-ylethanone
CID 110342050
(E)-but-2-enedioic acid;3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine
CID 66629517

Frequently Asked Questions

What is the IUPAC name of pyrazolidin-3-yl-[1-(pyridin-3-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone?
The IUPAC name of pyrazolidin-3-yl-[1-(pyridin-3-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone (CID 134072047) is pyrazolidin-3-yl-[1-(pyridin-3-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone.
What is the SMILES notation for pyrazolidin-3-yl-[1-(pyridin-3-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone?
The canonical SMILES for pyrazolidin-3-yl-[1-(pyridin-3-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone is O=C(C1CCNN1)N1CCCn2cnc(COc3cccnc3)c2C1.
What is the InChIKey of pyrazolidin-3-yl-[1-(pyridin-3-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone?
The InChIKey is FVHFDNUBCQYIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2/c24-17(14-4-6-20-21-14)22-7-2-8-23-12-19-15(16(23)10-22)11-25-13-3-1-5-18-9-13/h1,3,5,9,12,14,20-21H,2,4,6-8,10-11H2.
What are the key properties of pyrazolidin-3-yl-[1-(pyridin-3-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone?
pyrazolidin-3-yl-[1-(pyridin-3-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone has a molecular weight of 342.40 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazolidin-3-yl-[1-(pyridin-3-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone is sourced from PubChem (CID 134072047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).