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

C18H21N5O2 — CID 164642742

IUPAC[(1R,5S)-6-(1-methylpyrazole-4-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-pyridin-2-ylmethanone
SMILESCn1cc(C(=O)N2C[C@@H]3CC[C@H]2CN(C(=O)c2ccccn2)C3)cn1
InChIInChI=1S/C18H21N5O2/c1-21-11-14(8-20-21)17(24)23-10-13-5-6-15(23)12-22(9-13)18(25)16-4-2-3-7-19-16/h2-4,7-8,11,13,15H,5-6,9-10,12H2,1H3/t13-,15+/m1/s1
InChIKeyHOYUIEZXPFNIIZ-HIFRSBDPSA-N
MW339.40 g/mol
LogP1.19
Rot. Bonds2

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

[(1R,5S)-6-(1-methylpyrazole-4-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-pyridin-2-ylmethanone (PubChem CID 164642742) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is [(1R,5S)-6-(1-methylpyrazole-4-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[(1R,5S)-6-(1-methylpyrazole-4-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-pyridin-2-ylmethanone
PubChem CID164642742
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name[(1R,5S)-6-(1-methylpyrazole-4-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-pyridin-2-ylmethanone
SMILESCn1cc(C(=O)N2C[C@@H]3CC[C@H]2CN(C(=O)c2ccccn2)C3)cn1
InChIInChI=1S/C18H21N5O2/c1-21-11-14(8-20-21)17(24)23-10-13-5-6-15(23)12-22(9-13)18(25)16-4-2-3-7-19-16/h2-4,7-8,11,13,15H,5-6,9-10,12H2,1H3/t13-,15+/m1/s1
InChIKeyHOYUIEZXPFNIIZ-HIFRSBDPSA-N
XLogP1.19
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(1R,5S)-6-(1-methylpyrazole-4-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-pyridin-2-ylmethanone with MolForge

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Related Compounds

Ethyl 4-{pyrazolo[1,5-a]pyridine-3-carbonyl}piperazine-1-carboxylate
CID 5307978
1-Cyclohexyl-4-{pyrazolo[1,5-a]pyridine-3-carbonyl}piperazine
CID 6619939
US9586948, Example 12
CID 117871750
US9586948, Example 28
CID 117871992
[2-(5-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-phenylmethanone
CID 140268006
1-Phenyl-3-(3-pyridyl)pyrazol-4-yl piperidyl ketone
CID 880219
4-[1-phenyl-4-(1-piperidinylcarbonyl)-1H-pyrazol-3-yl]pyridine
CID 976901
1-Cyclopentyl-3-ethyl-6-pyridin-3-yl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
CID 10542997
(4-Benzylpiperazin-1-yl)-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methanone
CID 16329231
(3-Methylpiperidin-1-yl)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone
CID 18105308
1-(1-Phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperidine-4-carboxamide
CID 24979694
(1-Benzyl-3-tert-butylpyrazol-5-yl)-(4-pyridin-2-ylpiperidin-1-yl)methanone
CID 44526191

Frequently Asked Questions

What is the IUPAC name of [(1R,5S)-6-(1-methylpyrazole-4-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-pyridin-2-ylmethanone?
The IUPAC name of [(1R,5S)-6-(1-methylpyrazole-4-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-pyridin-2-ylmethanone (CID 164642742) is [(1R,5S)-6-(1-methylpyrazole-4-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [(1R,5S)-6-(1-methylpyrazole-4-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [(1R,5S)-6-(1-methylpyrazole-4-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-pyridin-2-ylmethanone is Cn1cc(C(=O)N2C[C@@H]3CC[C@H]2CN(C(=O)c2ccccn2)C3)cn1.
What is the InChIKey of [(1R,5S)-6-(1-methylpyrazole-4-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-pyridin-2-ylmethanone?
The InChIKey is HOYUIEZXPFNIIZ-HIFRSBDPSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-21-11-14(8-20-21)17(24)23-10-13-5-6-15(23)12-22(9-13)18(25)16-4-2-3-7-19-16/h2-4,7-8,11,13,15H,5-6,9-10,12H2,1H3/t13-,15+/m1/s1.
What are the key properties of [(1R,5S)-6-(1-methylpyrazole-4-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-pyridin-2-ylmethanone?
[(1R,5S)-6-(1-methylpyrazole-4-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-pyridin-2-ylmethanone has a molecular weight of 339.40 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5S)-6-(1-methylpyrazole-4-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 164642742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).