[(1S,5R)-6-(5-propyl-1H-pyrazole-4-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-pyridin-2-ylmethanone

C20H25N5O2 — CID 72893068

IUPAC[(1S,5R)-6-(5-propyl-1H-pyrazole-4-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-pyridin-2-ylmethanone
SMILESCCCc1[nH]ncc1C(=O)N1C[C@H]2CC[C@@H]1CN(C(=O)c1ccccn1)C2
InChIInChI=1S/C20H25N5O2/c1-2-5-17-16(10-22-23-17)19(26)25-12-14-7-8-15(25)13-24(11-14)20(27)18-6-3-4-9-21-18/h3-4,6,9-10,14-15H,2,5,7-8,11-13H2,1H3,(H,22,23)/t14-,15+/m0/s1
InChIKeyZHNBLDOMMUTJHC-LSDHHAIUSA-N
MW367.45 g/mol
LogP2.13
Rot. Bonds4

About [(1S,5R)-6-(5-propyl-1H-pyrazole-4-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-pyridin-2-ylmethanone

[(1S,5R)-6-(5-propyl-1H-pyrazole-4-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-pyridin-2-ylmethanone (PubChem CID 72893068) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is [(1S,5R)-6-(5-propyl-1H-pyrazole-4-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[(1S,5R)-6-(5-propyl-1H-pyrazole-4-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-pyridin-2-ylmethanone
PubChem CID72893068
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name[(1S,5R)-6-(5-propyl-1H-pyrazole-4-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-pyridin-2-ylmethanone
SMILESCCCc1[nH]ncc1C(=O)N1C[C@H]2CC[C@@H]1CN(C(=O)c1ccccn1)C2
InChIInChI=1S/C20H25N5O2/c1-2-5-17-16(10-22-23-17)19(26)25-12-14-7-8-15(25)13-24(11-14)20(27)18-6-3-4-9-21-18/h3-4,6,9-10,14-15H,2,5,7-8,11-13H2,1H3,(H,22,23)/t14-,15+/m0/s1
InChIKeyZHNBLDOMMUTJHC-LSDHHAIUSA-N
XLogP2.13
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-5-[(1S,5R)-3-(pyridine-2-carbonyl)-3,6-diazabicyclo[3.2.2]nonane-6-carbonyl]pyrimidine-2,4-dione
CID 72863080
[(1R,5S)-6-(1-methylpyrazole-4-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-pyridin-2-ylmethanone
CID 164642742
[(1S,5S)-6-(3-methylbut-2-enyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-(5-propyl-1H-pyrazol-4-yl)methanone
CID 133130816
[(1S,5R)-6-(4-ethyl-2-methyl-1,3-thiazole-5-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-pyridin-2-ylmethanone
CID 72852290
2-(2-methoxyethoxy)-1-[(1R,5S)-3-(pyridine-2-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]ethanone
CID 133138754
1-[(1S,5R)-3-(pyridine-2-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-3-thiophen-3-ylpropan-1-one
CID 72919898
[(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
(1S,5R)-N-benzyl-3-(pyridine-2-carbonyl)-3,6-diazabicyclo[3.2.2]nonane-6-carboxamide
CID 72847915
[(1S,5R)-6-[2-(methylamino)-1,3-thiazole-4-carbonyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]-pyridin-2-ylmethanone
CID 72892379
3-(2-methylimidazol-1-yl)-1-[(1S,5R)-3-(pyridine-2-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]propan-1-one
CID 72852355
[(1R,5S)-6-(benzenesulfonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-pyridin-2-ylmethanone
CID 133138684
pyridin-2-yl-[(1S,5S)-6-(3-pyrrol-1-ylpropyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone
CID 133119100

Frequently Asked Questions

What is the IUPAC name of [(1S,5R)-6-(5-propyl-1H-pyrazole-4-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-pyridin-2-ylmethanone?
The IUPAC name of [(1S,5R)-6-(5-propyl-1H-pyrazole-4-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-pyridin-2-ylmethanone (CID 72893068) is [(1S,5R)-6-(5-propyl-1H-pyrazole-4-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [(1S,5R)-6-(5-propyl-1H-pyrazole-4-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [(1S,5R)-6-(5-propyl-1H-pyrazole-4-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-pyridin-2-ylmethanone is CCCc1[nH]ncc1C(=O)N1C[C@H]2CC[C@@H]1CN(C(=O)c1ccccn1)C2.
What is the InChIKey of [(1S,5R)-6-(5-propyl-1H-pyrazole-4-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-pyridin-2-ylmethanone?
The InChIKey is ZHNBLDOMMUTJHC-LSDHHAIUSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-2-5-17-16(10-22-23-17)19(26)25-12-14-7-8-15(25)13-24(11-14)20(27)18-6-3-4-9-21-18/h3-4,6,9-10,14-15H,2,5,7-8,11-13H2,1H3,(H,22,23)/t14-,15+/m0/s1.
What are the key properties of [(1S,5R)-6-(5-propyl-1H-pyrazole-4-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-pyridin-2-ylmethanone?
[(1S,5R)-6-(5-propyl-1H-pyrazole-4-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-pyridin-2-ylmethanone has a molecular weight of 367.45 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,5R)-6-(5-propyl-1H-pyrazole-4-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 72893068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).