(6R)-1,10-dimethyl-4-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one

C19H28N6O2 — CID 100903509

IUPAC(6R)-1,10-dimethyl-4-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCc1cc2nc(CN3CCN(C)[C@@]4(CCC(=O)N(C)CC4)C3)cc(=O)n2[nH]1
InChIInChI=1S/C19H28N6O2/c1-14-10-16-20-15(11-18(27)25(16)21-14)12-24-9-8-23(3)19(13-24)5-4-17(26)22(2)7-6-19/h10-11,21H,4-9,12-13H2,1-3H3/t19-/m1/s1
InChIKeyOIRLCARHMKVCRK-LJQANCHMSA-N
MW372.47 g/mol
LogP0.46
Rot. Bonds2

About (6R)-1,10-dimethyl-4-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one

(6R)-1,10-dimethyl-4-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one (PubChem CID 100903509) has the molecular formula C19H28N6O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is (6R)-1,10-dimethyl-4-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name(6R)-1,10-dimethyl-4-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
PubChem CID100903509
Molecular FormulaC19H28N6O2
Molecular Weight372.47 g/mol
Exact Mass372.23
IUPAC Name(6R)-1,10-dimethyl-4-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCc1cc2nc(CN3CCN(C)[C@@]4(CCC(=O)N(C)CC4)C3)cc(=O)n2[nH]1
InChIInChI=1S/C19H28N6O2/c1-14-10-16-20-15(11-18(27)25(16)21-14)12-24-9-8-23(3)19(13-24)5-4-17(26)22(2)7-6-19/h10-11,21H,4-9,12-13H2,1-3H3/t19-/m1/s1
InChIKeyOIRLCARHMKVCRK-LJQANCHMSA-N
XLogP0.46
TPSA76.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (6R)-1,10-dimethyl-4-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6R)-1,10-dimethyl-4-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one?
The IUPAC name of (6R)-1,10-dimethyl-4-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one (CID 100903509) is (6R)-1,10-dimethyl-4-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for (6R)-1,10-dimethyl-4-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one?
The canonical SMILES for (6R)-1,10-dimethyl-4-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one is Cc1cc2nc(CN3CCN(C)[C@@]4(CCC(=O)N(C)CC4)C3)cc(=O)n2[nH]1.
What is the InChIKey of (6R)-1,10-dimethyl-4-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one?
The InChIKey is OIRLCARHMKVCRK-LJQANCHMSA-N. The full InChI is InChI=1S/C19H28N6O2/c1-14-10-16-20-15(11-18(27)25(16)21-14)12-24-9-8-23(3)19(13-24)5-4-17(26)22(2)7-6-19/h10-11,21H,4-9,12-13H2,1-3H3/t19-/m1/s1.
What are the key properties of (6R)-1,10-dimethyl-4-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one?
(6R)-1,10-dimethyl-4-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one has a molecular weight of 372.47 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-1,10-dimethyl-4-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 100903509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).