[(2R,6S)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)methanone

C19H24N4O — CID 56867040

IUPAC[(2R,6S)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)methanone
SMILESCc1cc2nc(C(=O)N3C[C@@H]4C5CCC(CC5)[C@@H]4C3)cc(C)n2n1
InChIInChI=1S/C19H24N4O/c1-11-7-18-20-17(8-12(2)23(18)21-11)19(24)22-9-15-13-3-4-14(6-5-13)16(15)10-22/h7-8,13-16H,3-6,9-10H2,1-2H3/t13?,14?,15-,16+
InChIKeyIPOZDLIPVJHQHN-STONLHKKSA-N
MW324.43 g/mol
LogP2.85
Rot. Bonds1

About [(2R,6S)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)methanone

[(2R,6S)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)methanone (PubChem CID 56867040) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is [(2R,6S)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)methanone.

Molecular Properties

Compound Name[(2R,6S)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)methanone
PubChem CID56867040
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name[(2R,6S)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)methanone
SMILESCc1cc2nc(C(=O)N3C[C@@H]4C5CCC(CC5)[C@@H]4C3)cc(C)n2n1
InChIInChI=1S/C19H24N4O/c1-11-7-18-20-17(8-12(2)23(18)21-11)19(24)22-9-15-13-3-4-14(6-5-13)16(15)10-22/h7-8,13-16H,3-6,9-10H2,1-2H3/t13?,14?,15-,16+
InChIKeyIPOZDLIPVJHQHN-STONLHKKSA-N
XLogP2.85
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2R,6S)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)methanone?
The IUPAC name of [(2R,6S)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)methanone (CID 56867040) is [(2R,6S)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)methanone.
What is the SMILES notation for [(2R,6S)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)methanone?
The canonical SMILES for [(2R,6S)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)methanone is Cc1cc2nc(C(=O)N3C[C@@H]4C5CCC(CC5)[C@@H]4C3)cc(C)n2n1.
What is the InChIKey of [(2R,6S)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)methanone?
The InChIKey is IPOZDLIPVJHQHN-STONLHKKSA-N. The full InChI is InChI=1S/C19H24N4O/c1-11-7-18-20-17(8-12(2)23(18)21-11)19(24)22-9-15-13-3-4-14(6-5-13)16(15)10-22/h7-8,13-16H,3-6,9-10H2,1-2H3/t13?,14?,15-,16+.
What are the key properties of [(2R,6S)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)methanone?
[(2R,6S)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)methanone has a molecular weight of 324.43 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,6S)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)methanone is sourced from PubChem (CID 56867040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).