3,5-dimethyl-4-[[3-(pyrazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methyl]-1,2-oxazole

C17H22N6O — CID 97467082

IUPAC3,5-dimethyl-4-[[3-(pyrazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methyl]-1,2-oxazole
SMILESCc1noc(C)c1CN1CCc2ncc(Cn3cccn3)n2CC1
InChIInChI=1S/C17H22N6O/c1-13-16(14(2)24-20-13)12-21-7-4-17-18-10-15(23(17)9-8-21)11-22-6-3-5-19-22/h3,5-6,10H,4,7-9,11-12H2,1-2H3
InChIKeyOZJXLVZJSJTPGD-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.79
Rot. Bonds4

About 3,5-dimethyl-4-[[3-(pyrazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methyl]-1,2-oxazole

3,5-dimethyl-4-[[3-(pyrazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methyl]-1,2-oxazole (PubChem CID 97467082) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is 3,5-dimethyl-4-[[3-(pyrazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[[3-(pyrazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methyl]-1,2-oxazole
PubChem CID97467082
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Name3,5-dimethyl-4-[[3-(pyrazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methyl]-1,2-oxazole
SMILESCc1noc(C)c1CN1CCc2ncc(Cn3cccn3)n2CC1
InChIInChI=1S/C17H22N6O/c1-13-16(14(2)24-20-13)12-21-7-4-17-18-10-15(23(17)9-8-21)11-22-6-3-5-19-22/h3,5-6,10H,4,7-9,11-12H2,1-2H3
InChIKeyOZJXLVZJSJTPGD-UHFFFAOYSA-N
XLogP1.79
TPSA64.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[[3-(pyrazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methyl]-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[[3-(pyrazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methyl]-1,2-oxazole (CID 97467082) is 3,5-dimethyl-4-[[3-(pyrazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[[3-(pyrazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methyl]-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[[3-(pyrazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methyl]-1,2-oxazole is Cc1noc(C)c1CN1CCc2ncc(Cn3cccn3)n2CC1.
What is the InChIKey of 3,5-dimethyl-4-[[3-(pyrazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methyl]-1,2-oxazole?
The InChIKey is OZJXLVZJSJTPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O/c1-13-16(14(2)24-20-13)12-21-7-4-17-18-10-15(23(17)9-8-21)11-22-6-3-5-19-22/h3,5-6,10H,4,7-9,11-12H2,1-2H3.
What are the key properties of 3,5-dimethyl-4-[[3-(pyrazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methyl]-1,2-oxazole?
3,5-dimethyl-4-[[3-(pyrazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methyl]-1,2-oxazole has a molecular weight of 326.40 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[[3-(pyrazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 97467082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).