4-ethyl-3-[(3R)-1-[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperidin-3-yl]-1H-1,2,4-triazol-5-one

C18H23N7O3 — CID 95219910

IUPAC4-ethyl-3-[(3R)-1-[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperidin-3-yl]-1H-1,2,4-triazol-5-one
SMILESCCn1c([C@@H]2CCCN(C(=O)c3cc4ncc(CCO)cn4n3)C2)n[nH]c1=O
InChIInChI=1S/C18H23N7O3/c1-2-24-16(20-21-18(24)28)13-4-3-6-23(11-13)17(27)14-8-15-19-9-12(5-7-26)10-25(15)22-14/h8-10,13,26H,2-7,11H2,1H3,(H,21,28)/t13-/m1/s1
InChIKeyFHHVSSLZZGHYER-CYBMUJFWSA-N
MW385.43 g/mol
LogP0.19
Rot. Bonds5

About 4-ethyl-3-[(3R)-1-[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperidin-3-yl]-1H-1,2,4-triazol-5-one

4-ethyl-3-[(3R)-1-[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperidin-3-yl]-1H-1,2,4-triazol-5-one (PubChem CID 95219910) has the molecular formula C18H23N7O3 and a molecular weight of 385.43 g/mol. Its IUPAC name is 4-ethyl-3-[(3R)-1-[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperidin-3-yl]-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name4-ethyl-3-[(3R)-1-[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperidin-3-yl]-1H-1,2,4-triazol-5-one
PubChem CID95219910
Molecular FormulaC18H23N7O3
Molecular Weight385.43 g/mol
Exact Mass385.19
IUPAC Name4-ethyl-3-[(3R)-1-[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperidin-3-yl]-1H-1,2,4-triazol-5-one
SMILESCCn1c([C@@H]2CCCN(C(=O)c3cc4ncc(CCO)cn4n3)C2)n[nH]c1=O
InChIInChI=1S/C18H23N7O3/c1-2-24-16(20-21-18(24)28)13-4-3-6-23(11-13)17(27)14-8-15-19-9-12(5-7-26)10-25(15)22-14/h8-10,13,26H,2-7,11H2,1H3,(H,21,28)/t13-/m1/s1
InChIKeyFHHVSSLZZGHYER-CYBMUJFWSA-N
XLogP0.19
TPSA121.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-ethyl-3-[(3R)-1-[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperidin-3-yl]-1H-1,2,4-triazol-5-one with MolForge

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Launch Full Analysis

Related Compounds

4-ethyl-3-[(3R)-1-[3-(1,2,4-triazol-4-yl)benzoyl]piperidin-3-yl]-1H-1,2,4-triazol-5-one
CID 95193570
7-[3-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-3-methylquinazolin-4-one
CID 56702148
[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[(3R)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
CID 126441634
5-[4-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]pyrazine-2-carboxylic acid
CID 138001743
3-[(3R)-1-(1,5-dimethylindazole-3-carbonyl)piperidin-3-yl]-4-ethyl-1H-1,2,4-triazol-5-one
CID 95200078
[(3S)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 95206897
3-[(3S)-1-[3-(1,5-dimethylpyrazol-4-yl)-1H-pyrazole-5-carbonyl]piperidin-3-yl]-4-ethyl-1H-1,2,4-triazol-5-one
CID 95205468
3-[(3S)-1-[3-(1,3-benzodioxol-5-yl)propanoyl]piperidin-3-yl]-4-ethyl-1H-1,2,4-triazol-5-one
CID 95228814
4-ethyl-3-[1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-5-one
CID 56710335
1-[3-[3-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-3-oxopropyl]-4,6-dimethylpyrimidin-2-one
CID 56702577
3-[(3R)-1-[3-(1H-benzimidazol-2-yl)propanoyl]piperidin-3-yl]-4-ethyl-1H-1,2,4-triazol-5-one
CID 95218585
4-[(3R)-3-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-4-oxo-N-(1,3,4-thiadiazol-2-yl)butanamide
CID 95198163

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-[(3R)-1-[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperidin-3-yl]-1H-1,2,4-triazol-5-one?
The IUPAC name of 4-ethyl-3-[(3R)-1-[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperidin-3-yl]-1H-1,2,4-triazol-5-one (CID 95219910) is 4-ethyl-3-[(3R)-1-[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperidin-3-yl]-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 4-ethyl-3-[(3R)-1-[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperidin-3-yl]-1H-1,2,4-triazol-5-one?
The canonical SMILES for 4-ethyl-3-[(3R)-1-[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperidin-3-yl]-1H-1,2,4-triazol-5-one is CCn1c([C@@H]2CCCN(C(=O)c3cc4ncc(CCO)cn4n3)C2)n[nH]c1=O.
What is the InChIKey of 4-ethyl-3-[(3R)-1-[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperidin-3-yl]-1H-1,2,4-triazol-5-one?
The InChIKey is FHHVSSLZZGHYER-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H23N7O3/c1-2-24-16(20-21-18(24)28)13-4-3-6-23(11-13)17(27)14-8-15-19-9-12(5-7-26)10-25(15)22-14/h8-10,13,26H,2-7,11H2,1H3,(H,21,28)/t13-/m1/s1.
What are the key properties of 4-ethyl-3-[(3R)-1-[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperidin-3-yl]-1H-1,2,4-triazol-5-one?
4-ethyl-3-[(3R)-1-[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperidin-3-yl]-1H-1,2,4-triazol-5-one has a molecular weight of 385.43 g/mol, XLogP of 0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-[(3R)-1-[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperidin-3-yl]-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 95219910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).