(3-amino-1H-pyrazol-5-yl)-[(1R,5S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone

C17H24N6O2 — CID 133118059

IUPAC(3-amino-1H-pyrazol-5-yl)-[(1R,5S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone
SMILESCc1noc(C)c1CN1C[C@H]2CC[C@@H](C1)N(C(=O)c1cc(N)n[nH]1)C2
InChIInChI=1S/C17H24N6O2/c1-10-14(11(2)25-21-10)9-22-6-12-3-4-13(8-22)23(7-12)17(24)15-5-16(18)20-19-15/h5,12-13H,3-4,6-9H2,1-2H3,(H3,18,19,20)/t12-,13+/m1/s1
InChIKeyXZFGVEHDBDLIJH-OLZOCXBDSA-N
MW344.42 g/mol
LogP1.33
Rot. Bonds3

About (3-amino-1H-pyrazol-5-yl)-[(1R,5S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone

(3-amino-1H-pyrazol-5-yl)-[(1R,5S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone (PubChem CID 133118059) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is (3-amino-1H-pyrazol-5-yl)-[(1R,5S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone.

Molecular Properties

Compound Name(3-amino-1H-pyrazol-5-yl)-[(1R,5S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone
PubChem CID133118059
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Name(3-amino-1H-pyrazol-5-yl)-[(1R,5S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone
SMILESCc1noc(C)c1CN1C[C@H]2CC[C@@H](C1)N(C(=O)c1cc(N)n[nH]1)C2
InChIInChI=1S/C17H24N6O2/c1-10-14(11(2)25-21-10)9-22-6-12-3-4-13(8-22)23(7-12)17(24)15-5-16(18)20-19-15/h5,12-13H,3-4,6-9H2,1-2H3,(H3,18,19,20)/t12-,13+/m1/s1
InChIKeyXZFGVEHDBDLIJH-OLZOCXBDSA-N
XLogP1.33
TPSA104.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3-amino-1H-pyrazol-5-yl)-[(1R,5S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone with MolForge

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Related Compounds

(2,4-difluorophenyl)-[(1S,5R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone
CID 72925043
[(1R,5S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(5-propyl-1H-pyrazol-4-yl)methanone
CID 164626462
1-[(1R,5S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone
CID 133137783
[(1S,5R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(5-methylthiophen-2-yl)methanone
CID 72877227
(5-chloro-2-hydroxyphenyl)-[(1R,5S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone
CID 133137641
[(1R,5S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(1H-indol-6-yl)methanone
CID 133113342
[(1S,5R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 72841108
[(1S,5R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(oxan-4-yl)methanone
CID 72872464
[(1S,5R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(3-methyl-1-propylpyrazol-4-yl)methanone
CID 72912571
5-[(1R,5S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonane-6-carbonyl]pyridine-2-carbonitrile
CID 133119259
2-[(1S,5R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]acetic acid
CID 72890514
3,5-dimethyl-4-[[(1R,5S)-6-[(2-methylphenyl)methyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]-1,2-oxazole
CID 133115943

Frequently Asked Questions

What is the IUPAC name of (3-amino-1H-pyrazol-5-yl)-[(1R,5S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone?
The IUPAC name of (3-amino-1H-pyrazol-5-yl)-[(1R,5S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone (CID 133118059) is (3-amino-1H-pyrazol-5-yl)-[(1R,5S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone.
What is the SMILES notation for (3-amino-1H-pyrazol-5-yl)-[(1R,5S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone?
The canonical SMILES for (3-amino-1H-pyrazol-5-yl)-[(1R,5S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone is Cc1noc(C)c1CN1C[C@H]2CC[C@@H](C1)N(C(=O)c1cc(N)n[nH]1)C2.
What is the InChIKey of (3-amino-1H-pyrazol-5-yl)-[(1R,5S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone?
The InChIKey is XZFGVEHDBDLIJH-OLZOCXBDSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-10-14(11(2)25-21-10)9-22-6-12-3-4-13(8-22)23(7-12)17(24)15-5-16(18)20-19-15/h5,12-13H,3-4,6-9H2,1-2H3,(H3,18,19,20)/t12-,13+/m1/s1.
What are the key properties of (3-amino-1H-pyrazol-5-yl)-[(1R,5S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone?
(3-amino-1H-pyrazol-5-yl)-[(1R,5S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone has a molecular weight of 344.42 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-1H-pyrazol-5-yl)-[(1R,5S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone is sourced from PubChem (CID 133118059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).