2-methyl-6-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

C20H19N7O2 — CID 165419944

IUPAC2-methyl-6-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc2ncc(C(=O)N3CCn4nc(-c5ccccc5)nc4[C@@H]3C)c(=O)n2[nH]1
InChIInChI=1S/C20H19N7O2/c1-12-10-16-21-11-15(20(29)27(16)23-12)19(28)25-8-9-26-18(13(25)2)22-17(24-26)14-6-4-3-5-7-14/h3-7,10-11,13,23H,8-9H2,1-2H3/t13-/m0/s1
InChIKeyYYWSBRPFPPZHJW-ZDUSSCGKSA-N
MW389.42 g/mol
LogP1.81
Rot. Bonds2

About 2-methyl-6-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

2-methyl-6-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 165419944) has the molecular formula C20H19N7O2 and a molecular weight of 389.42 g/mol. Its IUPAC name is 2-methyl-6-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-methyl-6-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID165419944
Molecular FormulaC20H19N7O2
Molecular Weight389.42 g/mol
Exact Mass389.16
IUPAC Name2-methyl-6-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc2ncc(C(=O)N3CCn4nc(-c5ccccc5)nc4[C@@H]3C)c(=O)n2[nH]1
InChIInChI=1S/C20H19N7O2/c1-12-10-16-21-11-15(20(29)27(16)23-12)19(28)25-8-9-26-18(13(25)2)22-17(24-26)14-6-4-3-5-7-14/h3-7,10-11,13,23H,8-9H2,1-2H3/t13-/m0/s1
InChIKeyYYWSBRPFPPZHJW-ZDUSSCGKSA-N
XLogP1.81
TPSA101.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-methyl-6-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-methyl-6-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 165419944) is 2-methyl-6-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-methyl-6-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-methyl-6-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1cc2ncc(C(=O)N3CCn4nc(-c5ccccc5)nc4[C@@H]3C)c(=O)n2[nH]1.
What is the InChIKey of 2-methyl-6-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is YYWSBRPFPPZHJW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H19N7O2/c1-12-10-16-21-11-15(20(29)27(16)23-12)19(28)25-8-9-26-18(13(25)2)22-17(24-26)14-6-4-3-5-7-14/h3-7,10-11,13,23H,8-9H2,1-2H3/t13-/m0/s1.
What are the key properties of 2-methyl-6-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-methyl-6-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 389.42 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 165419944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).