N-[4-[5-[(2R)-2-amino-1-(3-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 46881292

IUPACN-[4-[5-[(2R)-2-amino-1-(3-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)Cc3cccc(F)c3)o2)c(Cl)c(N(C)S(C)(=O)=O)n1
InChIInChI=1S/C26H34ClFN6O4S/c1-16-11-18(16)15-34(9-10-37-4)21-13-20(22(27)23(30-21)33(3)39(5,35)36)24-31-32-25(38-24)26(2,29)14-17-7-6-8-19(28)12-17/h6-8,12-13,16,18H,9-11,14-15,29H2,1-5H3/t16-,18+,26+/m0/s1
InChIKeyOXXLTARHBIJLCS-ZTBAGHRESA-N
MW581.11 g/mol
LogP3.85
Rot. Bonds12

About N-[4-[5-[(2R)-2-amino-1-(3-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-(3-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 46881292) 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-(3-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-(3-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 CID46881292
Molecular FormulaC26H34ClFN6O4S
Molecular Weight581.11 g/mol
Exact Mass580.20
IUPAC NameN-[4-[5-[(2R)-2-amino-1-(3-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)Cc3cccc(F)c3)o2)c(Cl)c(N(C)S(C)(=O)=O)n1
InChIInChI=1S/C26H34ClFN6O4S/c1-16-11-18(16)15-34(9-10-37-4)21-13-20(22(27)23(30-21)33(3)39(5,35)36)24-31-32-25(38-24)26(2,29)14-17-7-6-8-19(28)12-17/h6-8,12-13,16,18H,9-11,14-15,29H2,1-5H3/t16-,18+,26+/m0/s1
InChIKeyOXXLTARHBIJLCS-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-(3-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

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Related Compounds

(2r)-2-(5-{3-Chloro-6-((2-Methoxyethyl){[(1s,2s)-2-Methylcyclopropyl]methyl}amino)-2-[methyl(Methylsulfonyl)amino]pyridin-4-Yl}-1,3,4-Oxadiazol-2-Yl)-1-Phenylpropan-2-Amine
CID 17749716
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
N-[4-[5-[(2R)-2-amino-1-(4-methoxyphenyl)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 46880358
N-[4-[5-[(2R)-2-amino-1-(furan-2-yl)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 46880405
N-[4-[5-[(2R)-2-amino-1-(2-chlorophenyl)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 46880980
N-[4-[5-[(2R)-2-amino-1-(3-chlorophenyl)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 46880981
N-[4-[5-[(2R)-2-amino-1-(4-chlorophenyl)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 46881015
N-[4-[5-[(2R)-2-amino-1-(2-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 46881291
N-[4-[5-[(2R)-2-amino-1-(2-methoxyphenyl)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 46880356
N-[4-[5-[(2R)-2-amino-1-(3-methoxyphenyl)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 46880357
N-[4-[5-[(2R)-2-amino-1-(2-methoxy-4-pyridinyl)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 46880403
N-[4-[5-[(2R)-2-amino-1-(6-methoxy-3-pyridinyl)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 46880404

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[(2R)-2-amino-1-(3-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-(3-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 46881292) is N-[4-[5-[(2R)-2-amino-1-(3-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-(3-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-(3-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)Cc3cccc(F)c3)o2)c(Cl)c(N(C)S(C)(=O)=O)n1.
What is the InChIKey of N-[4-[5-[(2R)-2-amino-1-(3-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 OXXLTARHBIJLCS-ZTBAGHRESA-N. The full InChI is InChI=1S/C26H34ClFN6O4S/c1-16-11-18(16)15-34(9-10-37-4)21-13-20(22(27)23(30-21)33(3)39(5,35)36)24-31-32-25(38-24)26(2,29)14-17-7-6-8-19(28)12-17/h6-8,12-13,16,18H,9-11,14-15,29H2,1-5H3/t16-,18+,26+/m0/s1.
What are the key properties of N-[4-[5-[(2R)-2-amino-1-(3-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-(3-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-(3-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 46881292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).