5,6-dimethyl-2-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

C17H21N7O2 — CID 98061463

IUPAC5,6-dimethyl-2-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2cc(C3CCN(C(=O)Cn4cncn4)CC3)[nH]n2c(=O)c1C
InChIInChI=1S/C17H21N7O2/c1-11-12(2)20-15-7-14(21-24(15)17(11)26)13-3-5-22(6-4-13)16(25)8-23-10-18-9-19-23/h7,9-10,13,21H,3-6,8H2,1-2H3
InChIKeyXPFGBCBLXROMEH-UHFFFAOYSA-N
MW355.40 g/mol
LogP0.64
Rot. Bonds3

About 5,6-dimethyl-2-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

5,6-dimethyl-2-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 98061463) has the molecular formula C17H21N7O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is 5,6-dimethyl-2-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5,6-dimethyl-2-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID98061463
Molecular FormulaC17H21N7O2
Molecular Weight355.40 g/mol
Exact Mass355.18
IUPAC Name5,6-dimethyl-2-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2cc(C3CCN(C(=O)Cn4cncn4)CC3)[nH]n2c(=O)c1C
InChIInChI=1S/C17H21N7O2/c1-11-12(2)20-15-7-14(21-24(15)17(11)26)13-3-5-22(6-4-13)16(25)8-23-10-18-9-19-23/h7,9-10,13,21H,3-6,8H2,1-2H3
InChIKeyXPFGBCBLXROMEH-UHFFFAOYSA-N
XLogP0.64
TPSA101.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5,6-dimethyl-2-[(3S)-1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 98061547
6-ethyl-5-methyl-2-[(3S)-1-[4-(1,2,4-triazol-1-yl)butanoyl]piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 98061775
2-[1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-3-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110237995
5,6-dimethyl-2-[1-[3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110214564
5,6-dimethyl-2-[(3R)-piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 98078017
5,6-dimethyl-2-[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110214558
2-[(3R)-1-(furan-2-carbonyl)piperidin-3-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 98061527
1-[3-(methylamino)pyrrolidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
CID 81470062
5,6-dimethyl-2-(1-phenacylpiperidin-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 130193018
2-(1-benzoylpyrrolidin-3-yl)-5-methyl-6-(3-oxo-3-pyrrolidin-1-ylpropyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 127244643
2-[2-[2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)pyrrolidin-1-yl]-2-oxoethyl]phthalazin-1-one
CID 110214741
2-[(2R)-1-[(2R)-2-imidazol-1-ylpropanoyl]pyrrolidin-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 98061886

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5,6-dimethyl-2-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 98061463) is 5,6-dimethyl-2-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5,6-dimethyl-2-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5,6-dimethyl-2-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1nc2cc(C3CCN(C(=O)Cn4cncn4)CC3)[nH]n2c(=O)c1C.
What is the InChIKey of 5,6-dimethyl-2-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is XPFGBCBLXROMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O2/c1-11-12(2)20-15-7-14(21-24(15)17(11)26)13-3-5-22(6-4-13)16(25)8-23-10-18-9-19-23/h7,9-10,13,21H,3-6,8H2,1-2H3.
What are the key properties of 5,6-dimethyl-2-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5,6-dimethyl-2-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 355.40 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 98061463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).