[(1R,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl)methanone

C22H28N4O — CID 95163480

IUPAC[(1R,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl)methanone
SMILESCc1nn(C)c2nc(C3CC3)cc(C(=O)N3CC4C[C@@H]5CC3C[C@H](C4)C5)c12
InChIInChI=1S/C22H28N4O/c1-12-20-18(10-19(16-3-4-16)23-21(20)25(2)24-12)22(27)26-11-15-6-13-5-14(7-15)9-17(26)8-13/h10,13-17H,3-9,11H2,1-2H3/t13-,14+,15?,17?
InChIKeyYXKAJIYAKLZYIU-KWOWKCNFSA-N
MW364.49 g/mol
LogP3.80
Rot. Bonds2

About [(1R,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl)methanone

[(1R,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl)methanone (PubChem CID 95163480) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is [(1R,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl)methanone.

Molecular Properties

Compound Name[(1R,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl)methanone
PubChem CID95163480
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC Name[(1R,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl)methanone
SMILESCc1nn(C)c2nc(C3CC3)cc(C(=O)N3CC4C[C@@H]5CC3C[C@H](C4)C5)c12
InChIInChI=1S/C22H28N4O/c1-12-20-18(10-19(16-3-4-16)23-21(20)25(2)24-12)22(27)26-11-15-6-13-5-14(7-15)9-17(26)8-13/h10,13-17H,3-9,11H2,1-2H3/t13-,14+,15?,17?
InChIKeyYXKAJIYAKLZYIU-KWOWKCNFSA-N
XLogP3.80
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(1R,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(1R,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl)methanone?
The IUPAC name of [(1R,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl)methanone (CID 95163480) is [(1R,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl)methanone.
What is the SMILES notation for [(1R,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl)methanone?
The canonical SMILES for [(1R,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl)methanone is Cc1nn(C)c2nc(C3CC3)cc(C(=O)N3CC4C[C@@H]5CC3C[C@H](C4)C5)c12.
What is the InChIKey of [(1R,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl)methanone?
The InChIKey is YXKAJIYAKLZYIU-KWOWKCNFSA-N. The full InChI is InChI=1S/C22H28N4O/c1-12-20-18(10-19(16-3-4-16)23-21(20)25(2)24-12)22(27)26-11-15-6-13-5-14(7-15)9-17(26)8-13/h10,13-17H,3-9,11H2,1-2H3/t13-,14+,15?,17?.
What are the key properties of [(1R,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl)methanone?
[(1R,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl)methanone has a molecular weight of 364.49 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl)methanone is sourced from PubChem (CID 95163480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).