[(7R)-7-methoxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(4-methyl-1,3-oxazol-5-yl)methanone

C13H16N4O3 — CID 124810978

IUPAC[(7R)-7-methoxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
SMILESCO[C@@H]1CN(C(=O)c2ocnc2C)Cc2ccnn2C1
InChIInChI=1S/C13H16N4O3/c1-9-12(20-8-14-9)13(18)16-5-10-3-4-15-17(10)7-11(6-16)19-2/h3-4,8,11H,5-7H2,1-2H3/t11-/m1/s1
InChIKeyQPXQNPQSYZBIHQ-LLVKDONJSA-N
MW276.30 g/mol
LogP0.85
Rot. Bonds2

About [(7R)-7-methoxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(4-methyl-1,3-oxazol-5-yl)methanone

[(7R)-7-methoxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(4-methyl-1,3-oxazol-5-yl)methanone (PubChem CID 124810978) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is [(7R)-7-methoxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(4-methyl-1,3-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[(7R)-7-methoxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
PubChem CID124810978
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Name[(7R)-7-methoxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
SMILESCO[C@@H]1CN(C(=O)c2ocnc2C)Cc2ccnn2C1
InChIInChI=1S/C13H16N4O3/c1-9-12(20-8-14-9)13(18)16-5-10-3-4-15-17(10)7-11(6-16)19-2/h3-4,8,11H,5-7H2,1-2H3/t11-/m1/s1
InChIKeyQPXQNPQSYZBIHQ-LLVKDONJSA-N
XLogP0.85
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(7R)-7-methoxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(4-methyl-1,3-oxazol-5-yl)methanone with MolForge

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Related Compounds

N-[[(7R)-5-(4-methyl-1,3-oxazole-5-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]methanesulfonamide
CID 124810694
(7-methoxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)-quinolin-2-ylmethanone
CID 131638697
[4-(cyclopropylmethoxy)-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 133139931
N-[[(7R)-5-(4-methyl-1,3-oxazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide
CID 124812571
(5-chloro-1-benzofuran-2-yl)-[(7R)-7-methoxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone
CID 124790163
(4-methylphenyl)-[(7S)-7-pyrimidin-2-yloxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone
CID 124819469
2-(2,3-dihydro-1H-inden-2-yl)-1-(7-methoxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)ethanone
CID 131648447
3-(4-ethoxyphenyl)-1-[(7R)-7-methoxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]propan-1-one
CID 124796563
(3-methylfuran-2-yl)-[7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone
CID 133140267
[(7R)-7-(cyclopropylmethoxy)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(2-methylfuran-3-yl)methanone
CID 124811147
(4-methyl-1,3-oxazol-5-yl)-[6-(piperidin-1-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone
CID 131695429
(3-chloro-4-methylpyrrolidin-1-yl)-(4-methyl-1,3-oxazol-5-yl)methanone
CID 131007255

Frequently Asked Questions

What is the IUPAC name of [(7R)-7-methoxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(4-methyl-1,3-oxazol-5-yl)methanone?
The IUPAC name of [(7R)-7-methoxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(4-methyl-1,3-oxazol-5-yl)methanone (CID 124810978) is [(7R)-7-methoxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(4-methyl-1,3-oxazol-5-yl)methanone.
What is the SMILES notation for [(7R)-7-methoxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(4-methyl-1,3-oxazol-5-yl)methanone?
The canonical SMILES for [(7R)-7-methoxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(4-methyl-1,3-oxazol-5-yl)methanone is CO[C@@H]1CN(C(=O)c2ocnc2C)Cc2ccnn2C1.
What is the InChIKey of [(7R)-7-methoxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(4-methyl-1,3-oxazol-5-yl)methanone?
The InChIKey is QPXQNPQSYZBIHQ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-9-12(20-8-14-9)13(18)16-5-10-3-4-15-17(10)7-11(6-16)19-2/h3-4,8,11H,5-7H2,1-2H3/t11-/m1/s1.
What are the key properties of [(7R)-7-methoxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(4-methyl-1,3-oxazol-5-yl)methanone?
[(7R)-7-methoxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(4-methyl-1,3-oxazol-5-yl)methanone has a molecular weight of 276.30 g/mol, XLogP of 0.85, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(7R)-7-methoxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(4-methyl-1,3-oxazol-5-yl)methanone is sourced from PubChem (CID 124810978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).