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

C24H33ClN6O5S — CID 46880456

IUPACN-[4-[5-[(2R)-2-amino-1-(furan-3-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
SMILESCOCCN(C[C@H]1C[C@@H]1C)c1cc(-c2nnc([C@](C)(N)Cc3ccoc3)o2)c(Cl)c(N(C)S(C)(=O)=O)n1
InChIInChI=1S/C24H33ClN6O5S/c1-15-10-17(15)13-31(7-9-34-4)19-11-18(20(25)21(27-19)30(3)37(5,32)33)22-28-29-23(36-22)24(2,26)12-16-6-8-35-14-16/h6,8,11,14-15,17H,7,9-10,12-13,26H2,1-5H3/t15-,17+,24+/m0/s1
InChIKeyJNKCJQNSDROUHI-KPNPRUKOSA-N
MW553.09 g/mol
LogP3.30
Rot. Bonds12

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

N-[4-[5-[(2R)-2-amino-1-(furan-3-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 (PubChem CID 46880456) has the molecular formula C24H33ClN6O5S and a molecular weight of 553.09 g/mol. Its IUPAC name is N-[4-[5-[(2R)-2-amino-1-(furan-3-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.

Molecular Properties

Compound NameN-[4-[5-[(2R)-2-amino-1-(furan-3-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
PubChem CID46880456
Molecular FormulaC24H33ClN6O5S
Molecular Weight553.09 g/mol
Exact Mass552.19
IUPAC NameN-[4-[5-[(2R)-2-amino-1-(furan-3-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
SMILESCOCCN(C[C@H]1C[C@@H]1C)c1cc(-c2nnc([C@](C)(N)Cc3ccoc3)o2)c(Cl)c(N(C)S(C)(=O)=O)n1
InChIInChI=1S/C24H33ClN6O5S/c1-15-10-17(15)13-31(7-9-34-4)19-11-18(20(25)21(27-19)30(3)37(5,32)33)22-28-29-23(36-22)24(2,26)12-16-6-8-35-14-16/h6,8,11,14-15,17H,7,9-10,12-13,26H2,1-5H3/t15-,17+,24+/m0/s1
InChIKeyJNKCJQNSDROUHI-KPNPRUKOSA-N
XLogP3.30
TPSA140.82 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500553.09
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-[4-[5-[(2R)-2-amino-1-(furan-3-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 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-(furan-3-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?
The IUPAC name of N-[4-[5-[(2R)-2-amino-1-(furan-3-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 46880456) is N-[4-[5-[(2R)-2-amino-1-(furan-3-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.
What is the SMILES notation for N-[4-[5-[(2R)-2-amino-1-(furan-3-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?
The canonical SMILES for N-[4-[5-[(2R)-2-amino-1-(furan-3-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 is COCCN(C[C@H]1C[C@@H]1C)c1cc(-c2nnc([C@](C)(N)Cc3ccoc3)o2)c(Cl)c(N(C)S(C)(=O)=O)n1.
What is the InChIKey of N-[4-[5-[(2R)-2-amino-1-(furan-3-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?
The InChIKey is JNKCJQNSDROUHI-KPNPRUKOSA-N. The full InChI is InChI=1S/C24H33ClN6O5S/c1-15-10-17(15)13-31(7-9-34-4)19-11-18(20(25)21(27-19)30(3)37(5,32)33)22-28-29-23(36-22)24(2,26)12-16-6-8-35-14-16/h6,8,11,14-15,17H,7,9-10,12-13,26H2,1-5H3/t15-,17+,24+/m0/s1.
What are the key properties of N-[4-[5-[(2R)-2-amino-1-(furan-3-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?
N-[4-[5-[(2R)-2-amino-1-(furan-3-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 has a molecular weight of 553.09 g/mol, XLogP of 3.30, 12 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[(2R)-2-amino-1-(furan-3-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 is sourced from PubChem (CID 46880456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).