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

C20H27N7O2 — CID 98061775

IUPAC6-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
SMILESCCc1c(C)nc2cc([C@H]3CCCN(C(=O)CCCn4cncn4)C3)[nH]n2c1=O
InChIInChI=1S/C20H27N7O2/c1-3-16-14(2)23-18-10-17(24-27(18)20(16)29)15-6-4-8-25(11-15)19(28)7-5-9-26-13-21-12-22-26/h10,12-13,15,24H,3-9,11H2,1-2H3/t15-/m0/s1
InChIKeyMGMAKHAKIQCYRB-HNNXBMFYSA-N
MW397.48 g/mol
LogP1.67
Rot. Bonds6

About 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

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 (PubChem CID 98061775) has the molecular formula C20H27N7O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-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
PubChem CID98061775
Molecular FormulaC20H27N7O2
Molecular Weight397.48 g/mol
Exact Mass397.22
IUPAC Name6-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
SMILESCCc1c(C)nc2cc([C@H]3CCCN(C(=O)CCCn4cncn4)C3)[nH]n2c1=O
InChIInChI=1S/C20H27N7O2/c1-3-16-14(2)23-18-10-17(24-27(18)20(16)29)15-6-4-8-25(11-15)19(28)7-5-9-26-13-21-12-22-26/h10,12-13,15,24H,3-9,11H2,1-2H3/t15-/m0/s1
InChIKeyMGMAKHAKIQCYRB-HNNXBMFYSA-N
XLogP1.67
TPSA101.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-[1-[4-(2-oxopyrrolidin-1-yl)butanoyl]piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110214677
6-ethyl-5-methyl-2-[1-(2-methylpropanoyl)piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110214668
6-ethyl-2-[1-(imidazole-1-carbonyl)piperidin-3-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110215111
2-[1-[2-(dimethylamino)pyrimidine-5-carbonyl]piperidin-3-yl]-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110214681
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-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 98061463
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-[(3R)-3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one
CID 99991553
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-[1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]piperidin-3-yl]-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one
CID 110214697
1-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperidin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one
CID 92553657

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCc1c(C)nc2cc([C@H]3CCCN(C(=O)CCCn4cncn4)C3)[nH]n2c1=O.
What is the InChIKey of 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?
The InChIKey is MGMAKHAKIQCYRB-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H27N7O2/c1-3-16-14(2)23-18-10-17(24-27(18)20(16)29)15-6-4-8-25(11-15)19(28)7-5-9-26-13-21-12-22-26/h10,12-13,15,24H,3-9,11H2,1-2H3/t15-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 397.48 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 98061775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).