[(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone

C21H27N3O3 — CID 124849624

IUPAC[(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone
SMILESCc1cc2n(n1)CCN(C(=O)[C@@]1(C)CCc3c(C)c(O)c(C)c(C)c3O1)C2
InChIInChI=1S/C21H27N3O3/c1-12-10-16-11-23(8-9-24(16)22-12)20(26)21(5)7-6-17-15(4)18(25)13(2)14(3)19(17)27-21/h10,25H,6-9,11H2,1-5H3/t21-/m1/s1
InChIKeyPDBMPKDZRYEFTE-OAQYLSRUSA-N
MW369.47 g/mol
LogP2.95
Rot. Bonds1

About [(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone

[(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone (PubChem CID 124849624) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is [(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone.

Molecular Properties

Compound Name[(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone
PubChem CID124849624
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name[(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone
SMILESCc1cc2n(n1)CCN(C(=O)[C@@]1(C)CCc3c(C)c(O)c(C)c(C)c3O1)C2
InChIInChI=1S/C21H27N3O3/c1-12-10-16-11-23(8-9-24(16)22-12)20(26)21(5)7-6-17-15(4)18(25)13(2)14(3)19(17)27-21/h10,25H,6-9,11H2,1-5H3/t21-/m1/s1
InChIKeyPDBMPKDZRYEFTE-OAQYLSRUSA-N
XLogP2.95
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone?
The IUPAC name of [(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone (CID 124849624) is [(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone.
What is the SMILES notation for [(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone?
The canonical SMILES for [(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone is Cc1cc2n(n1)CCN(C(=O)[C@@]1(C)CCc3c(C)c(O)c(C)c(C)c3O1)C2.
What is the InChIKey of [(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone?
The InChIKey is PDBMPKDZRYEFTE-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-12-10-16-11-23(8-9-24(16)22-12)20(26)21(5)7-6-17-15(4)18(25)13(2)14(3)19(17)27-21/h10,25H,6-9,11H2,1-5H3/t21-/m1/s1.
What are the key properties of [(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone?
[(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone has a molecular weight of 369.47 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone is sourced from PubChem (CID 124849624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).