[(1S,5R)-3-hydroxy-3-(pyrrolo[2,3-c]pyridin-1-ylmethyl)-8-azabicyclo[3.2.1]octan-8-yl]-(6-methyl-3-pyridinyl)methanone

C22H24N4O2 — CID 92558824

IUPAC[(1S,5R)-3-hydroxy-3-(pyrrolo[2,3-c]pyridin-1-ylmethyl)-8-azabicyclo[3.2.1]octan-8-yl]-(6-methyl-3-pyridinyl)methanone
SMILESCc1ccc(C(=O)N2[C@@H]3CC[C@H]2CC(O)(Cn2ccc4ccncc42)C3)cn1
InChIInChI=1S/C22H24N4O2/c1-15-2-3-17(12-24-15)21(27)26-18-4-5-19(26)11-22(28,10-18)14-25-9-7-16-6-8-23-13-20(16)25/h2-3,6-9,12-13,18-19,28H,4-5,10-11,14H2,1H3/t18-,19+,22?
InChIKeyOBNWEUNIRFREEL-QIDMFYOTSA-N
MW376.46 g/mol
LogP2.94
Rot. Bonds3

About [(1S,5R)-3-hydroxy-3-(pyrrolo[2,3-c]pyridin-1-ylmethyl)-8-azabicyclo[3.2.1]octan-8-yl]-(6-methyl-3-pyridinyl)methanone

[(1S,5R)-3-hydroxy-3-(pyrrolo[2,3-c]pyridin-1-ylmethyl)-8-azabicyclo[3.2.1]octan-8-yl]-(6-methyl-3-pyridinyl)methanone (PubChem CID 92558824) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is [(1S,5R)-3-hydroxy-3-(pyrrolo[2,3-c]pyridin-1-ylmethyl)-8-azabicyclo[3.2.1]octan-8-yl]-(6-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[(1S,5R)-3-hydroxy-3-(pyrrolo[2,3-c]pyridin-1-ylmethyl)-8-azabicyclo[3.2.1]octan-8-yl]-(6-methyl-3-pyridinyl)methanone
PubChem CID92558824
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name[(1S,5R)-3-hydroxy-3-(pyrrolo[2,3-c]pyridin-1-ylmethyl)-8-azabicyclo[3.2.1]octan-8-yl]-(6-methyl-3-pyridinyl)methanone
SMILESCc1ccc(C(=O)N2[C@@H]3CC[C@H]2CC(O)(Cn2ccc4ccncc42)C3)cn1
InChIInChI=1S/C22H24N4O2/c1-15-2-3-17(12-24-15)21(27)26-18-4-5-19(26)11-22(28,10-18)14-25-9-7-16-6-8-23-13-20(16)25/h2-3,6-9,12-13,18-19,28H,4-5,10-11,14H2,1H3/t18-,19+,22?
InChIKeyOBNWEUNIRFREEL-QIDMFYOTSA-N
XLogP2.94
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(1S,5R)-3-hydroxy-3-(pyrrolo[2,3-c]pyridin-1-ylmethyl)-8-azabicyclo[3.2.1]octan-8-yl]-(6-methyl-3-pyridinyl)methanone with MolForge

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Related Compounds

(1,3-dimethylpyrazol-4-yl)-[(1R,5R)-3-hydroxy-3-(pyrrolo[2,3-c]pyridin-1-ylmethyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 98063292
(1,3-dimethylpyrazol-4-yl)-[(1S,5S)-3-hydroxy-3-(pyrrolo[2,3-c]pyridin-1-ylmethyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 98063294
(2S)-2-amino-1-[(1S,5S)-3-hydroxy-3-(pyrrolo[2,3-c]pyridin-1-ylmethyl)-8-azabicyclo[3.2.1]octan-8-yl]propan-1-one
CID 124828307
6-[3-hydroxy-3-(pyrrolo[2,3-c]pyridin-1-ylmethyl)-8-azabicyclo[3.2.1]octane-8-carbonyl]-1,3-dimethylpyrimidine-2,4-dione
CID 110215856
[(1S,5S)-3-hydroxy-3-(pyrrolo[2,3-c]pyridin-1-ylmethyl)-8-azabicyclo[3.2.1]octan-8-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone
CID 98063380
(1R,5R)-8-(pyridin-3-ylmethyl)-3-(pyrrolo[2,3-c]pyridin-1-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 98063435
(1S,5R)-8-[(2-fluorophenyl)methyl]-3-(pyrrolo[2,3-c]pyridin-1-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 92572740
(1S,5S)-3-(pyrrolo[2,3-c]pyridin-1-ylmethyl)-8-[(3,4,5-trimethoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 98063442
(2,4-dimethylpyrimidin-5-yl)-[3-hydroxy-3-[(2-methylpyrrolo[2,3-c]pyridin-1-yl)methyl]-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 110215895
(2S)-2-amino-1-[(1R,5R)-3-hydroxy-3-(pyrrolo[3,2-b]pyridin-1-ylmethyl)-8-azabicyclo[3.2.1]octan-8-yl]-3-methylbutan-1-one
CID 98074422
(1R,5R)-8-(pyridin-3-ylmethyl)-3-(pyrrolo[3,2-b]pyridin-1-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 98074356
4-(pyrrolo[2,3-c]pyridin-1-ylmethyl)cyclohexane-1-carboxylic acid
CID 172581981

Frequently Asked Questions

What is the IUPAC name of [(1S,5R)-3-hydroxy-3-(pyrrolo[2,3-c]pyridin-1-ylmethyl)-8-azabicyclo[3.2.1]octan-8-yl]-(6-methyl-3-pyridinyl)methanone?
The IUPAC name of [(1S,5R)-3-hydroxy-3-(pyrrolo[2,3-c]pyridin-1-ylmethyl)-8-azabicyclo[3.2.1]octan-8-yl]-(6-methyl-3-pyridinyl)methanone (CID 92558824) is [(1S,5R)-3-hydroxy-3-(pyrrolo[2,3-c]pyridin-1-ylmethyl)-8-azabicyclo[3.2.1]octan-8-yl]-(6-methyl-3-pyridinyl)methanone.
What is the SMILES notation for [(1S,5R)-3-hydroxy-3-(pyrrolo[2,3-c]pyridin-1-ylmethyl)-8-azabicyclo[3.2.1]octan-8-yl]-(6-methyl-3-pyridinyl)methanone?
The canonical SMILES for [(1S,5R)-3-hydroxy-3-(pyrrolo[2,3-c]pyridin-1-ylmethyl)-8-azabicyclo[3.2.1]octan-8-yl]-(6-methyl-3-pyridinyl)methanone is Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2CC(O)(Cn2ccc4ccncc42)C3)cn1.
What is the InChIKey of [(1S,5R)-3-hydroxy-3-(pyrrolo[2,3-c]pyridin-1-ylmethyl)-8-azabicyclo[3.2.1]octan-8-yl]-(6-methyl-3-pyridinyl)methanone?
The InChIKey is OBNWEUNIRFREEL-QIDMFYOTSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-15-2-3-17(12-24-15)21(27)26-18-4-5-19(26)11-22(28,10-18)14-25-9-7-16-6-8-23-13-20(16)25/h2-3,6-9,12-13,18-19,28H,4-5,10-11,14H2,1H3/t18-,19+,22?.
What are the key properties of [(1S,5R)-3-hydroxy-3-(pyrrolo[2,3-c]pyridin-1-ylmethyl)-8-azabicyclo[3.2.1]octan-8-yl]-(6-methyl-3-pyridinyl)methanone?
[(1S,5R)-3-hydroxy-3-(pyrrolo[2,3-c]pyridin-1-ylmethyl)-8-azabicyclo[3.2.1]octan-8-yl]-(6-methyl-3-pyridinyl)methanone has a molecular weight of 376.46 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,5R)-3-hydroxy-3-(pyrrolo[2,3-c]pyridin-1-ylmethyl)-8-azabicyclo[3.2.1]octan-8-yl]-(6-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 92558824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).