5,6-dimethyl-2-[1-[3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

C22H30N6O2 — CID 110214564

IUPAC5,6-dimethyl-2-[1-[3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nn(CCC(=O)N2CCCC(c3cc4nc(C)c(C)c(=O)n4[nH]3)C2)c(C)c1C
InChIInChI=1S/C22H30N6O2/c1-13-16(4)24-27(17(13)5)10-8-21(29)26-9-6-7-18(12-26)19-11-20-23-15(3)14(2)22(30)28(20)25-19/h11,18,25H,6-10,12H2,1-5H3
InChIKeyYEWZALAXGZYUHA-UHFFFAOYSA-N
MW410.52 g/mol
LogP2.56
Rot. Bonds4

About 5,6-dimethyl-2-[1-[3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

5,6-dimethyl-2-[1-[3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 110214564) has the molecular formula C22H30N6O2 and a molecular weight of 410.52 g/mol. Its IUPAC name is 5,6-dimethyl-2-[1-[3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5,6-dimethyl-2-[1-[3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID110214564
Molecular FormulaC22H30N6O2
Molecular Weight410.52 g/mol
Exact Mass410.24
IUPAC Name5,6-dimethyl-2-[1-[3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nn(CCC(=O)N2CCCC(c3cc4nc(C)c(C)c(=O)n4[nH]3)C2)c(C)c1C
InChIInChI=1S/C22H30N6O2/c1-13-16(4)24-27(17(13)5)10-8-21(29)26-9-6-7-18(12-26)19-11-20-23-15(3)14(2)22(30)28(20)25-19/h11,18,25H,6-10,12H2,1-5H3
InChIKeyYEWZALAXGZYUHA-UHFFFAOYSA-N
XLogP2.56
TPSA88.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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
2-methyl-4-[1-[3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136664782
6-ethyl-5-methyl-2-[1-[4-(2-oxopyrrolidin-1-yl)butanoyl]piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110214677
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
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
5,6-dimethyl-2-[(3R)-piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 98078017
2-[1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-3-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110237995
5-methyl-2-[(3S)-1-[3-(3-oxo-1H-isoindol-2-yl)propanoyl]piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 98061679
6-ethyl-5-methyl-2-[1-(2-methylpropanoyl)piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110214668
5-methyl-6-(3-oxo-3-piperidin-1-ylpropyl)-2-(1-propan-2-ylpyrrolidin-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110259276
1-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-one
CID 72916265

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-[1-[3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 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) is 5,6-dimethyl-2-[1-[3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5,6-dimethyl-2-[1-[3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5,6-dimethyl-2-[1-[3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1nn(CCC(=O)N2CCCC(c3cc4nc(C)c(C)c(=O)n4[nH]3)C2)c(C)c1C.
What is the InChIKey of 5,6-dimethyl-2-[1-[3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is YEWZALAXGZYUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O2/c1-13-16(4)24-27(17(13)5)10-8-21(29)26-9-6-7-18(12-26)19-11-20-23-15(3)14(2)22(30)28(20)25-19/h11,18,25H,6-10,12H2,1-5H3.
What are the key properties of 5,6-dimethyl-2-[1-[3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5,6-dimethyl-2-[1-[3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 410.52 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-[1-[3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 110214564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).