2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-(4-ethylcyclohexyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide

C25H32FN5O — CID 95759764

IUPAC2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-(4-ethylcyclohexyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
SMILESCCC1CCC(N(C(=O)Cc2nc3nc(C)cc(C)n3n2)[C@@H](C)c2ccc(F)cc2)CC1
InChIInChI=1S/C25H32FN5O/c1-5-19-6-12-22(13-7-19)30(18(4)20-8-10-21(26)11-9-20)24(32)15-23-28-25-27-16(2)14-17(3)31(25)29-23/h8-11,14,18-19,22H,5-7,12-13,15H2,1-4H3/t18-,19?,22?/m0/s1
InChIKeyKSKVQOUMWXGESH-PGFLUOATSA-N
MW437.56 g/mol
LogP4.98
Rot. Bonds6

About 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-(4-ethylcyclohexyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide

2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-(4-ethylcyclohexyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide (PubChem CID 95759764) has the molecular formula C25H32FN5O and a molecular weight of 437.56 g/mol. Its IUPAC name is 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-(4-ethylcyclohexyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-(4-ethylcyclohexyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
PubChem CID95759764
Molecular FormulaC25H32FN5O
Molecular Weight437.56 g/mol
Exact Mass437.26
IUPAC Name2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-(4-ethylcyclohexyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
SMILESCCC1CCC(N(C(=O)Cc2nc3nc(C)cc(C)n3n2)[C@@H](C)c2ccc(F)cc2)CC1
InChIInChI=1S/C25H32FN5O/c1-5-19-6-12-22(13-7-19)30(18(4)20-8-10-21(26)11-9-20)24(32)15-23-28-25-27-16(2)14-17(3)31(25)29-23/h8-11,14,18-19,22H,5-7,12-13,15H2,1-4H3/t18-,19?,22?/m0/s1
InChIKeyKSKVQOUMWXGESH-PGFLUOATSA-N
XLogP4.98
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.56
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-Methyl-N-(3-(6-Phenyl(1,2,4)Triazolo(4,3-B)Pyridazin-3-Yl)Phenyl)Acetamide
CID 5287936
N,N-diethyl-2-[2-[4-(4-fluorobut-1-ynyl)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide
CID 76310900
N,N-diethyl-2-[2-[4-(3-fluoroprop-1-ynyl)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide
CID 76314543
N,N-diethyl-2-[2-[4-(5-fluoropent-1-ynyl)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide
CID 76328987
N,N-diethyl-2-[2-[4-(6-fluorohex-1-ynyl)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide
CID 76332665
2-[(4-Methyl-1-piperazinyl)carbonyl]-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 1015601
N,N-diethyl-2-[2-(4-fluorophenyl)-6,8-dimethylimidazo[1,2-b]pyridazin-3-yl]acetamide
CID 44197027
N-benzyl-2-[2-[4-(3-fluoropropyl)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N-methylacetamide
CID 134134890
2-[2-[4-(3-fluoropropyl)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N-methyl-N-propylacetamide
CID 134149469
2-[2-[4-(3-fluoropropyl)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N,N-dipropylacetamide
CID 134152661
2-[[2-Ethyl-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-methylamino]ethanol
CID 3231332
5,7-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 3567025

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-(4-ethylcyclohexyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-(4-ethylcyclohexyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide (CID 95759764) is 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-(4-ethylcyclohexyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-(4-ethylcyclohexyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-(4-ethylcyclohexyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide is CCC1CCC(N(C(=O)Cc2nc3nc(C)cc(C)n3n2)[C@@H](C)c2ccc(F)cc2)CC1.
What is the InChIKey of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-(4-ethylcyclohexyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide?
The InChIKey is KSKVQOUMWXGESH-PGFLUOATSA-N. The full InChI is InChI=1S/C25H32FN5O/c1-5-19-6-12-22(13-7-19)30(18(4)20-8-10-21(26)11-9-20)24(32)15-23-28-25-27-16(2)14-17(3)31(25)29-23/h8-11,14,18-19,22H,5-7,12-13,15H2,1-4H3/t18-,19?,22?/m0/s1.
What are the key properties of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-(4-ethylcyclohexyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide?
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-(4-ethylcyclohexyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide has a molecular weight of 437.56 g/mol, XLogP of 4.98, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-(4-ethylcyclohexyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 95759764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).