2-(5-methyl-1,2-oxazol-3-yl)-1-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5,8-diazaspiro[2.6]nonan-8-yl]ethanone

C19H22N6O2 — CID 66653557

IUPAC2-(5-methyl-1,2-oxazol-3-yl)-1-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5,8-diazaspiro[2.6]nonan-8-yl]ethanone
SMILESCc1cc(CC(=O)N2CCN(c3ncnc4[nH]ccc34)CC3(CC3)C2)no1
InChIInChI=1S/C19H22N6O2/c1-13-8-14(23-27-13)9-16(26)24-6-7-25(11-19(10-24)3-4-19)18-15-2-5-20-17(15)21-12-22-18/h2,5,8,12H,3-4,6-7,9-11H2,1H3,(H,20,21,22)
InChIKeyCJMJPFQGPYLSTJ-UHFFFAOYSA-N
MW366.43 g/mol
LogP1.93
Rot. Bonds3

About 2-(5-methyl-1,2-oxazol-3-yl)-1-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5,8-diazaspiro[2.6]nonan-8-yl]ethanone

2-(5-methyl-1,2-oxazol-3-yl)-1-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5,8-diazaspiro[2.6]nonan-8-yl]ethanone (PubChem CID 66653557) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 2-(5-methyl-1,2-oxazol-3-yl)-1-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5,8-diazaspiro[2.6]nonan-8-yl]ethanone.

Molecular Properties

Compound Name2-(5-methyl-1,2-oxazol-3-yl)-1-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5,8-diazaspiro[2.6]nonan-8-yl]ethanone
PubChem CID66653557
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name2-(5-methyl-1,2-oxazol-3-yl)-1-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5,8-diazaspiro[2.6]nonan-8-yl]ethanone
SMILESCc1cc(CC(=O)N2CCN(c3ncnc4[nH]ccc34)CC3(CC3)C2)no1
InChIInChI=1S/C19H22N6O2/c1-13-8-14(23-27-13)9-16(26)24-6-7-25(11-19(10-24)3-4-19)18-15-2-5-20-17(15)21-12-22-18/h2,5,8,12H,3-4,6-7,9-11H2,1H3,(H,20,21,22)
InChIKeyCJMJPFQGPYLSTJ-UHFFFAOYSA-N
XLogP1.93
TPSA91.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(5-methyl-1,2-oxazol-3-yl)-1-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5,8-diazaspiro[2.6]nonan-8-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-methyl-1,2-thiazol-5-yl)-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5,8-diazaspiro[2.6]nonan-8-yl]methanone
CID 66653846
pyridin-4-yl-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5,8-diazaspiro[2.6]nonan-8-yl]methanone
CID 66653851
4-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5,8-diazaspiro[2.6]nonane-8-carbonyl]-1H-pyridin-2-one
CID 66654021
pyrimidin-4-yl-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5,8-diazaspiro[2.6]nonan-8-yl]methanone
CID 56645397
N-methyl-5-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5,8-diazaspiro[2.6]nonane-8-carbonyl]-1H-pyrrole-2-sulfonamide
CID 66653774
N-(2-methoxyethyl)-4-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5,8-diazaspiro[2.6]nonane-8-carbonyl]benzenesulfonamide
CID 66653949
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5,8-diazaspiro[2.6]nonan-8-yl]methanone
CID 66654547
N-(oxolan-2-ylmethyl)-4-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5,8-diazaspiro[2.6]nonane-8-carbonyl]benzenesulfonamide
CID 56644356
1-[4-amino-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]ethanone
CID 176575619
7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide
CID 155953699
5-methyl-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 57382847
4-oxo-4-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]butanamide
CID 166372004

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,2-oxazol-3-yl)-1-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5,8-diazaspiro[2.6]nonan-8-yl]ethanone?
The IUPAC name of 2-(5-methyl-1,2-oxazol-3-yl)-1-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5,8-diazaspiro[2.6]nonan-8-yl]ethanone (CID 66653557) is 2-(5-methyl-1,2-oxazol-3-yl)-1-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5,8-diazaspiro[2.6]nonan-8-yl]ethanone.
What is the SMILES notation for 2-(5-methyl-1,2-oxazol-3-yl)-1-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5,8-diazaspiro[2.6]nonan-8-yl]ethanone?
The canonical SMILES for 2-(5-methyl-1,2-oxazol-3-yl)-1-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5,8-diazaspiro[2.6]nonan-8-yl]ethanone is Cc1cc(CC(=O)N2CCN(c3ncnc4[nH]ccc34)CC3(CC3)C2)no1.
What is the InChIKey of 2-(5-methyl-1,2-oxazol-3-yl)-1-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5,8-diazaspiro[2.6]nonan-8-yl]ethanone?
The InChIKey is CJMJPFQGPYLSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-13-8-14(23-27-13)9-16(26)24-6-7-25(11-19(10-24)3-4-19)18-15-2-5-20-17(15)21-12-22-18/h2,5,8,12H,3-4,6-7,9-11H2,1H3,(H,20,21,22).
What are the key properties of 2-(5-methyl-1,2-oxazol-3-yl)-1-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5,8-diazaspiro[2.6]nonan-8-yl]ethanone?
2-(5-methyl-1,2-oxazol-3-yl)-1-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5,8-diazaspiro[2.6]nonan-8-yl]ethanone has a molecular weight of 366.43 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,2-oxazol-3-yl)-1-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5,8-diazaspiro[2.6]nonan-8-yl]ethanone is sourced from PubChem (CID 66653557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).