N-[4-[5-[(2R)-2-amino-1-(4-fluorophenyl)propan-2-yl]-1,3,4-oxadiazol-2-yl]-3-chloro-6-[2-methoxyethyl-[[(1S,2S)-2-methylcyclopropyl]methyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide

C26H34ClFN6O4S — CID 46866500

IUPACN-[4-[5-[(2R)-2-amino-1-(4-fluorophenyl)propan-2-yl]-1,3,4-oxadiazol-2-yl]-3-chloro-6-[2-methoxyethyl-[[(1S,2S)-2-methylcyclopropyl]methyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide
SMILESCOCCN(C[C@H]1C[C@@H]1C)c1cc(-c2nnc([C@](C)(N)Cc3ccc(F)cc3)o2)c(Cl)c(N(C)S(C)(=O)=O)n1
InChIInChI=1S/C26H34ClFN6O4S/c1-16-12-18(16)15-34(10-11-37-4)21-13-20(22(27)23(30-21)33(3)39(5,35)36)24-31-32-25(38-24)26(2,29)14-17-6-8-19(28)9-7-17/h6-9,13,16,18H,10-12,14-15,29H2,1-5H3/t16-,18+,26+/m0/s1
InChIKeyWEAKLYJUEHHUMC-ZTBAGHRESA-N
MW581.11 g/mol
LogP3.85
Rot. Bonds12

About N-[4-[5-[(2R)-2-amino-1-(4-fluorophenyl)propan-2-yl]-1,3,4-oxadiazol-2-yl]-3-chloro-6-[2-methoxyethyl-[[(1S,2S)-2-methylcyclopropyl]methyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide

N-[4-[5-[(2R)-2-amino-1-(4-fluorophenyl)propan-2-yl]-1,3,4-oxadiazol-2-yl]-3-chloro-6-[2-methoxyethyl-[[(1S,2S)-2-methylcyclopropyl]methyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide (PubChem CID 46866500) has the molecular formula C26H34ClFN6O4S and a molecular weight of 581.11 g/mol. Its IUPAC name is N-[4-[5-[(2R)-2-amino-1-(4-fluorophenyl)propan-2-yl]-1,3,4-oxadiazol-2-yl]-3-chloro-6-[2-methoxyethyl-[[(1S,2S)-2-methylcyclopropyl]methyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[4-[5-[(2R)-2-amino-1-(4-fluorophenyl)propan-2-yl]-1,3,4-oxadiazol-2-yl]-3-chloro-6-[2-methoxyethyl-[[(1S,2S)-2-methylcyclopropyl]methyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide
PubChem CID46866500
Molecular FormulaC26H34ClFN6O4S
Molecular Weight581.11 g/mol
Exact Mass580.20
IUPAC NameN-[4-[5-[(2R)-2-amino-1-(4-fluorophenyl)propan-2-yl]-1,3,4-oxadiazol-2-yl]-3-chloro-6-[2-methoxyethyl-[[(1S,2S)-2-methylcyclopropyl]methyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide
SMILESCOCCN(C[C@H]1C[C@@H]1C)c1cc(-c2nnc([C@](C)(N)Cc3ccc(F)cc3)o2)c(Cl)c(N(C)S(C)(=O)=O)n1
InChIInChI=1S/C26H34ClFN6O4S/c1-16-12-18(16)15-34(10-11-37-4)21-13-20(22(27)23(30-21)33(3)39(5,35)36)24-31-32-25(38-24)26(2,29)14-17-6-8-19(28)9-7-17/h6-9,13,16,18H,10-12,14-15,29H2,1-5H3/t16-,18+,26+/m0/s1
InChIKeyWEAKLYJUEHHUMC-ZTBAGHRESA-N
XLogP3.85
TPSA127.68 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500581.11
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[4-[5-[(2R)-2-amino-1-(4-fluorophenyl)propan-2-yl]-1,3,4-oxadiazol-2-yl]-3-chloro-6-[2-methoxyethyl-[[(1S,2S)-2-methylcyclopropyl]methyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[(2R)-2-amino-1-(4-fluorophenyl)propan-2-yl]-1,3,4-oxadiazol-2-yl]-3-chloro-6-[2-methoxyethyl-[[(1S,2S)-2-methylcyclopropyl]methyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[4-[5-[(2R)-2-amino-1-(4-fluorophenyl)propan-2-yl]-1,3,4-oxadiazol-2-yl]-3-chloro-6-[2-methoxyethyl-[[(1S,2S)-2-methylcyclopropyl]methyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide (CID 46866500) is N-[4-[5-[(2R)-2-amino-1-(4-fluorophenyl)propan-2-yl]-1,3,4-oxadiazol-2-yl]-3-chloro-6-[2-methoxyethyl-[[(1S,2S)-2-methylcyclopropyl]methyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[4-[5-[(2R)-2-amino-1-(4-fluorophenyl)propan-2-yl]-1,3,4-oxadiazol-2-yl]-3-chloro-6-[2-methoxyethyl-[[(1S,2S)-2-methylcyclopropyl]methyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[4-[5-[(2R)-2-amino-1-(4-fluorophenyl)propan-2-yl]-1,3,4-oxadiazol-2-yl]-3-chloro-6-[2-methoxyethyl-[[(1S,2S)-2-methylcyclopropyl]methyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide is COCCN(C[C@H]1C[C@@H]1C)c1cc(-c2nnc([C@](C)(N)Cc3ccc(F)cc3)o2)c(Cl)c(N(C)S(C)(=O)=O)n1.
What is the InChIKey of N-[4-[5-[(2R)-2-amino-1-(4-fluorophenyl)propan-2-yl]-1,3,4-oxadiazol-2-yl]-3-chloro-6-[2-methoxyethyl-[[(1S,2S)-2-methylcyclopropyl]methyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide?
The InChIKey is WEAKLYJUEHHUMC-ZTBAGHRESA-N. The full InChI is InChI=1S/C26H34ClFN6O4S/c1-16-12-18(16)15-34(10-11-37-4)21-13-20(22(27)23(30-21)33(3)39(5,35)36)24-31-32-25(38-24)26(2,29)14-17-6-8-19(28)9-7-17/h6-9,13,16,18H,10-12,14-15,29H2,1-5H3/t16-,18+,26+/m0/s1.
What are the key properties of N-[4-[5-[(2R)-2-amino-1-(4-fluorophenyl)propan-2-yl]-1,3,4-oxadiazol-2-yl]-3-chloro-6-[2-methoxyethyl-[[(1S,2S)-2-methylcyclopropyl]methyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide?
N-[4-[5-[(2R)-2-amino-1-(4-fluorophenyl)propan-2-yl]-1,3,4-oxadiazol-2-yl]-3-chloro-6-[2-methoxyethyl-[[(1S,2S)-2-methylcyclopropyl]methyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide has a molecular weight of 581.11 g/mol, XLogP of 3.85, 12 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[(2R)-2-amino-1-(4-fluorophenyl)propan-2-yl]-1,3,4-oxadiazol-2-yl]-3-chloro-6-[2-methoxyethyl-[[(1S,2S)-2-methylcyclopropyl]methyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 46866500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).