[(2R,6S)-6-phenyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methanone

C21H24N4O — CID 50955650

IUPAC[(2R,6S)-6-phenyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methanone
SMILESC=CC[C@@H]1CC=C[C@@H](c2ccccc2)N1C(=O)c1cc2n(n1)CCNC2
InChIInChI=1S/C21H24N4O/c1-2-7-17-10-6-11-20(16-8-4-3-5-9-16)25(17)21(26)19-14-18-15-22-12-13-24(18)23-19/h2-6,8-9,11,14,17,20,22H,1,7,10,12-13,15H2/t17-,20+/m1/s1
InChIKeyOCFOXIYCEGXQCH-XLIONFOSSA-N
MW348.45 g/mol
LogP3.07
Rot. Bonds4

About [(2R,6S)-6-phenyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methanone

[(2R,6S)-6-phenyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methanone (PubChem CID 50955650) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is [(2R,6S)-6-phenyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methanone.

Molecular Properties

Compound Name[(2R,6S)-6-phenyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methanone
PubChem CID50955650
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name[(2R,6S)-6-phenyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methanone
SMILESC=CC[C@@H]1CC=C[C@@H](c2ccccc2)N1C(=O)c1cc2n(n1)CCNC2
InChIInChI=1S/C21H24N4O/c1-2-7-17-10-6-11-20(16-8-4-3-5-9-16)25(17)21(26)19-14-18-15-22-12-13-24(18)23-19/h2-6,8-9,11,14,17,20,22H,1,7,10,12-13,15H2/t17-,20+/m1/s1
InChIKeyOCFOXIYCEGXQCH-XLIONFOSSA-N
XLogP3.07
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2R,6S)-6-phenyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methanone?
The IUPAC name of [(2R,6S)-6-phenyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methanone (CID 50955650) is [(2R,6S)-6-phenyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methanone.
What is the SMILES notation for [(2R,6S)-6-phenyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methanone?
The canonical SMILES for [(2R,6S)-6-phenyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methanone is C=CC[C@@H]1CC=C[C@@H](c2ccccc2)N1C(=O)c1cc2n(n1)CCNC2.
What is the InChIKey of [(2R,6S)-6-phenyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methanone?
The InChIKey is OCFOXIYCEGXQCH-XLIONFOSSA-N. The full InChI is InChI=1S/C21H24N4O/c1-2-7-17-10-6-11-20(16-8-4-3-5-9-16)25(17)21(26)19-14-18-15-22-12-13-24(18)23-19/h2-6,8-9,11,14,17,20,22H,1,7,10,12-13,15H2/t17-,20+/m1/s1.
What are the key properties of [(2R,6S)-6-phenyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methanone?
[(2R,6S)-6-phenyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methanone has a molecular weight of 348.45 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,6S)-6-phenyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methanone is sourced from PubChem (CID 50955650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).