N-[[4-[2-[2-cyclopentyl-5-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-hydroxy-6-oxo-3H-pyran-2-yl]ethyl]-2-ethylphenyl]methyl]methanesulfonamide

C30H39N5O5S — CID 58763999

IUPACN-[[4-[2-[2-cyclopentyl-5-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-hydroxy-6-oxo-3H-pyran-2-yl]ethyl]-2-ethylphenyl]methyl]methanesulfonamide
SMILESCCc1cc(CCC2(C3CCCC3)CC(O)=C(Cc3nc4nc(C)cc(C)n4n3)C(=O)O2)ccc1CNS(C)(=O)=O
InChIInChI=1S/C30H39N5O5S/c1-5-22-15-21(10-11-23(22)18-31-41(4,38)39)12-13-30(24-8-6-7-9-24)17-26(36)25(28(37)40-30)16-27-33-29-32-19(2)14-20(3)35(29)34-27/h10-11,14-15,24,31,36H,5-9,12-13,16-18H2,1-4H3
InChIKeyVHROGXLAMNJISH-UHFFFAOYSA-N
MW581.74 g/mol
LogP4.22
Rot. Bonds10

About N-[[4-[2-[2-cyclopentyl-5-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-hydroxy-6-oxo-3H-pyran-2-yl]ethyl]-2-ethylphenyl]methyl]methanesulfonamide

N-[[4-[2-[2-cyclopentyl-5-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-hydroxy-6-oxo-3H-pyran-2-yl]ethyl]-2-ethylphenyl]methyl]methanesulfonamide (PubChem CID 58763999) has the molecular formula C30H39N5O5S and a molecular weight of 581.74 g/mol. Its IUPAC name is N-[[4-[2-[2-cyclopentyl-5-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-hydroxy-6-oxo-3H-pyran-2-yl]ethyl]-2-ethylphenyl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[4-[2-[2-cyclopentyl-5-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-hydroxy-6-oxo-3H-pyran-2-yl]ethyl]-2-ethylphenyl]methyl]methanesulfonamide
PubChem CID58763999
Molecular FormulaC30H39N5O5S
Molecular Weight581.74 g/mol
Exact Mass581.27
IUPAC NameN-[[4-[2-[2-cyclopentyl-5-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-hydroxy-6-oxo-3H-pyran-2-yl]ethyl]-2-ethylphenyl]methyl]methanesulfonamide
SMILESCCc1cc(CCC2(C3CCCC3)CC(O)=C(Cc3nc4nc(C)cc(C)n4n3)C(=O)O2)ccc1CNS(C)(=O)=O
InChIInChI=1S/C30H39N5O5S/c1-5-22-15-21(10-11-23(22)18-31-41(4,38)39)12-13-30(24-8-6-7-9-24)17-26(36)25(28(37)40-30)16-27-33-29-32-19(2)14-20(3)35(29)34-27/h10-11,14-15,24,31,36H,5-9,12-13,16-18H2,1-4H3
InChIKeyVHROGXLAMNJISH-UHFFFAOYSA-N
XLogP4.22
TPSA135.78 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500581.74
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[[4-[2-[2-cyclopentyl-5-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-hydroxy-6-oxo-3H-pyran-2-yl]ethyl]-2-ethylphenyl]methyl]methanesulfonamide 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

2-cyclopentyl-5-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-2-[2-(3-ethyl-4-propan-2-yloxyphenyl)ethyl]-4-hydroxy-3H-pyran-6-one
CID 58762759
2-cyclopentyl-5-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-hydroxy-2-[2-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]ethyl]-3H-pyran-6-one
CID 58764028
2-cyclopentyl-5-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-hydroxy-2-[2-[4-(trifluoromethylsulfinyl)phenyl]ethyl]-3H-pyran-6-one
CID 149203788
2-cyclopentyl-2-[2-(3,5-dichloro-4-ethoxyphenyl)ethyl]-5-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-hydroxy-3H-pyran-6-one
CID 58762508
2-cyclopentyl-2-[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]ethyl]-5-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-hydroxy-3H-pyran-6-one
CID 58762340
N-[[4-[2-[2-cyclopentyl-5-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4,6-dioxooxan-2-yl]ethyl]-2-ethylphenyl]methyl]acetamide
CID 91247442
2-cyclopentyl-2-[2-(3-ethyl-4-hydroxyphenyl)ethyl]-4-hydroxy-5-[(6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-3H-pyran-6-one
CID 58762348
(2R)-2-cyclopentyl-2-[2-(2,6-diethyl-4-pyridinyl)ethyl]-4-hydroxy-5-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-3H-pyran-6-one
CID 71241720
2-[2-cyclopentyl-2-[2-[3-ethyl-4-(methanesulfonamidomethyl)phenyl]ethyl]-4-hydroxy-6-oxo-3H-pyran-5-yl]-N-(4,6-dimethyl-1H-pyrimidin-1-ium-2-ylidene)ethanimidamide
CID 143183258
6-cyclopentyl-3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-6-[2-[3-ethyl-4-(hydroxymethyl)phenyl]ethyl]oxane-2,4-dione
CID 91303016
2-cyclopentyl-5-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-hydroxy-2-(4-piperidin-4-ylbutyl)-3H-pyran-6-one
CID 58764149
5-[(6-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-2-cyclopentyl-2-[2-(2-ethyl-4-pyridinyl)ethyl]-4-hydroxy-3H-pyran-6-one
CID 58762211

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-[2-cyclopentyl-5-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-hydroxy-6-oxo-3H-pyran-2-yl]ethyl]-2-ethylphenyl]methyl]methanesulfonamide?
The IUPAC name of N-[[4-[2-[2-cyclopentyl-5-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-hydroxy-6-oxo-3H-pyran-2-yl]ethyl]-2-ethylphenyl]methyl]methanesulfonamide (CID 58763999) is N-[[4-[2-[2-cyclopentyl-5-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-hydroxy-6-oxo-3H-pyran-2-yl]ethyl]-2-ethylphenyl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[4-[2-[2-cyclopentyl-5-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-hydroxy-6-oxo-3H-pyran-2-yl]ethyl]-2-ethylphenyl]methyl]methanesulfonamide?
The canonical SMILES for N-[[4-[2-[2-cyclopentyl-5-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-hydroxy-6-oxo-3H-pyran-2-yl]ethyl]-2-ethylphenyl]methyl]methanesulfonamide is CCc1cc(CCC2(C3CCCC3)CC(O)=C(Cc3nc4nc(C)cc(C)n4n3)C(=O)O2)ccc1CNS(C)(=O)=O.
What is the InChIKey of N-[[4-[2-[2-cyclopentyl-5-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-hydroxy-6-oxo-3H-pyran-2-yl]ethyl]-2-ethylphenyl]methyl]methanesulfonamide?
The InChIKey is VHROGXLAMNJISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39N5O5S/c1-5-22-15-21(10-11-23(22)18-31-41(4,38)39)12-13-30(24-8-6-7-9-24)17-26(36)25(28(37)40-30)16-27-33-29-32-19(2)14-20(3)35(29)34-27/h10-11,14-15,24,31,36H,5-9,12-13,16-18H2,1-4H3.
What are the key properties of N-[[4-[2-[2-cyclopentyl-5-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-hydroxy-6-oxo-3H-pyran-2-yl]ethyl]-2-ethylphenyl]methyl]methanesulfonamide?
N-[[4-[2-[2-cyclopentyl-5-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-hydroxy-6-oxo-3H-pyran-2-yl]ethyl]-2-ethylphenyl]methyl]methanesulfonamide has a molecular weight of 581.74 g/mol, XLogP of 4.22, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-[2-cyclopentyl-5-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-hydroxy-6-oxo-3H-pyran-2-yl]ethyl]-2-ethylphenyl]methyl]methanesulfonamide is sourced from PubChem (CID 58763999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).