3-methyl-5-[5-(pyridin-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]-1,2,4-oxadiazole

C16H18N6O — CID 131652919

IUPAC3-methyl-5-[5-(pyridin-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]-1,2,4-oxadiazole
SMILESCc1noc(C2CN(Cc3ccccn3)Cc3ccnn3C2)n1
InChIInChI=1S/C16H18N6O/c1-12-19-16(23-20-12)13-8-21(10-14-4-2-3-6-17-14)11-15-5-7-18-22(15)9-13/h2-7,13H,8-11H2,1H3
InChIKeyBKQYUKFGXQUTBX-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.77
Rot. Bonds3

About 3-methyl-5-[5-(pyridin-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]-1,2,4-oxadiazole

3-methyl-5-[5-(pyridin-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]-1,2,4-oxadiazole (PubChem CID 131652919) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is 3-methyl-5-[5-(pyridin-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-[5-(pyridin-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]-1,2,4-oxadiazole
PubChem CID131652919
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Name3-methyl-5-[5-(pyridin-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]-1,2,4-oxadiazole
SMILESCc1noc(C2CN(Cc3ccccn3)Cc3ccnn3C2)n1
InChIInChI=1S/C16H18N6O/c1-12-19-16(23-20-12)13-8-21(10-14-4-2-3-6-17-14)11-15-5-7-18-22(15)9-13/h2-7,13H,8-11H2,1H3
InChIKeyBKQYUKFGXQUTBX-UHFFFAOYSA-N
XLogP1.77
TPSA72.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-methyl-5-[5-(pyridin-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]-1,2,4-oxadiazole with MolForge

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Related Compounds

3-methyl-5-[5-[(5-methylthiophen-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]-1,2,4-oxadiazole
CID 134078723
1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 56821867
7-(pyridin-2-ylmethoxymethyl)-5-(pyridin-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine;bis(2,2,2-trifluoroacetic acid)
CID 155862056
4-[[(3aS,6aR)-2-(pyridin-2-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 97452960
(7R)-7-(pyridin-2-ylmethoxy)-5-(thiophen-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
CID 124909624
(7R)-7-(pyridin-2-ylmethoxymethyl)-5-(pyridin-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
CID 97463588
N-[[5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide
CID 131646319
5-(pyridin-2-ylmethyl)-7-(pyridin-2-yloxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 131678215
(3aR,6S,7aR)-6-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(pyridin-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine;2,2,2-trifluoroacetic acid
CID 171694780
3-methyl-5-[2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole
CID 71924549
5-(furan-3-ylmethyl)-7-(pyridin-2-ylmethoxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
CID 131642580
1-(pyridin-2-ylmethyl)pyrrolidine-3,4-diol
CID 106672943

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[5-(pyridin-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-[5-(pyridin-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]-1,2,4-oxadiazole (CID 131652919) is 3-methyl-5-[5-(pyridin-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-[5-(pyridin-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-[5-(pyridin-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]-1,2,4-oxadiazole is Cc1noc(C2CN(Cc3ccccn3)Cc3ccnn3C2)n1.
What is the InChIKey of 3-methyl-5-[5-(pyridin-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]-1,2,4-oxadiazole?
The InChIKey is BKQYUKFGXQUTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O/c1-12-19-16(23-20-12)13-8-21(10-14-4-2-3-6-17-14)11-15-5-7-18-22(15)9-13/h2-7,13H,8-11H2,1H3.
What are the key properties of 3-methyl-5-[5-(pyridin-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]-1,2,4-oxadiazole?
3-methyl-5-[5-(pyridin-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]-1,2,4-oxadiazole has a molecular weight of 310.36 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[5-(pyridin-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 131652919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).