[(2R,3S,6R)-3-phenyl-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone

C23H24N4O — CID 56871904

IUPAC[(2R,3S,6R)-3-phenyl-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
SMILESO=C(c1cnn2ccccc12)N1C[C@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1
InChIInChI=1S/C23H24N4O/c28-23(18-14-24-27-11-5-4-8-20(18)27)26-15-19(16-6-2-1-3-7-16)22-21(26)17-9-12-25(22)13-10-17/h1-8,11,14,17,19,21-22H,9-10,12-13,15H2/t19-,21-,22-/m1/s1
InChIKeyOHZBNEAJFDZMRY-CEMLEFRQSA-N
MW372.47 g/mol
LogP3.04
Rot. Bonds2

About [(2R,3S,6R)-3-phenyl-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone

[(2R,3S,6R)-3-phenyl-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone (PubChem CID 56871904) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is [(2R,3S,6R)-3-phenyl-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone.

Molecular Properties

Compound Name[(2R,3S,6R)-3-phenyl-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
PubChem CID56871904
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name[(2R,3S,6R)-3-phenyl-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
SMILESO=C(c1cnn2ccccc12)N1C[C@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1
InChIInChI=1S/C23H24N4O/c28-23(18-14-24-27-11-5-4-8-20(18)27)26-15-19(16-6-2-1-3-7-16)22-21(26)17-9-12-25(22)13-10-17/h1-8,11,14,17,19,21-22H,9-10,12-13,15H2/t19-,21-,22-/m1/s1
InChIKeyOHZBNEAJFDZMRY-CEMLEFRQSA-N
XLogP3.04
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S,3S,6S)-3-phenyl-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]-pyridin-4-ylmethanone
CID 133122918
(2-methylpyrimidin-5-yl)-[(2S,3S,6S)-3-phenyl-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]methanone
CID 133131183
[(2S,3S,6S)-3-phenyl-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]-(2-pyrrolidin-1-ylphenyl)methanone
CID 133113157
(2-cyclopropylpyrimidin-5-yl)-[(2S,3S,6S)-3-phenyl-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]methanone
CID 133117877
(5-chloro-2-pyridinyl)-[(2S,3S,6S)-3-phenyl-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]methanone
CID 133122571
[2-(chloromethyl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 103122402
2H-benzotriazol-5-yl-[(2R,3R,6R)-3-phenyl-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]methanone
CID 56865972
3-amino-1-[(2R,3R,6R)-3-phenyl-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]propan-1-one
CID 56878306
3-amino-1-[(2S,3S,6S)-3-phenyl-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]propan-1-one
CID 133127112
3-hydroxy-1-[(2S,3S,6S)-3-phenyl-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]propan-1-one
CID 133132915
(1-ethyl-5-methylpyrazol-4-yl)-[(2R,3R,6R)-3-(3-hydroxyphenyl)-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]methanone
CID 72924902
3-methyl-1-(pyrazolo[1,5-a]pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 103117258

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,6R)-3-phenyl-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone?
The IUPAC name of [(2R,3S,6R)-3-phenyl-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone (CID 56871904) is [(2R,3S,6R)-3-phenyl-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone.
What is the SMILES notation for [(2R,3S,6R)-3-phenyl-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone?
The canonical SMILES for [(2R,3S,6R)-3-phenyl-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone is O=C(c1cnn2ccccc12)N1C[C@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1.
What is the InChIKey of [(2R,3S,6R)-3-phenyl-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone?
The InChIKey is OHZBNEAJFDZMRY-CEMLEFRQSA-N. The full InChI is InChI=1S/C23H24N4O/c28-23(18-14-24-27-11-5-4-8-20(18)27)26-15-19(16-6-2-1-3-7-16)22-21(26)17-9-12-25(22)13-10-17/h1-8,11,14,17,19,21-22H,9-10,12-13,15H2/t19-,21-,22-/m1/s1.
What are the key properties of [(2R,3S,6R)-3-phenyl-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone?
[(2R,3S,6R)-3-phenyl-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone has a molecular weight of 372.47 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,6R)-3-phenyl-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone is sourced from PubChem (CID 56871904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).