N-[(1S)-1-(4-chlorophenyl)-2-[[4-[(1S)-1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-methoxyethyl]-2-pyridinyl]amino]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide

C24H24ClF2N7O5 — CID 178028510

IUPACN-[(1S)-1-(4-chlorophenyl)-2-[[4-[(1S)-1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-methoxyethyl]-2-pyridinyl]amino]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
SMILESCOC[C@H](c1ccnc(NC(=O)[C@@H](NC(=O)c2nonc2C)c2ccc(Cl)cc2)c1)N1CC(F)(F)CNC1=O
InChIInChI=1S/C24H24ClF2N7O5/c1-13-19(33-39-32-13)21(35)31-20(14-3-5-16(25)6-4-14)22(36)30-18-9-15(7-8-28-18)17(10-38-2)34-12-24(26,27)11-29-23(34)37/h3-9,17,20H,10-12H2,1-2H3,(H,29,37)(H,31,35)(H,28,30,36)/t17-,20+/m1/s1
InChIKeyQGDRZJJOIMEREI-XLIONFOSSA-N
MW563.95 g/mol
LogP2.88
Rot. Bonds9

About N-[(1S)-1-(4-chlorophenyl)-2-[[4-[(1S)-1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-methoxyethyl]-2-pyridinyl]amino]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide

N-[(1S)-1-(4-chlorophenyl)-2-[[4-[(1S)-1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-methoxyethyl]-2-pyridinyl]amino]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide (PubChem CID 178028510) has the molecular formula C24H24ClF2N7O5 and a molecular weight of 563.95 g/mol. Its IUPAC name is N-[(1S)-1-(4-chlorophenyl)-2-[[4-[(1S)-1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-methoxyethyl]-2-pyridinyl]amino]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-chlorophenyl)-2-[[4-[(1S)-1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-methoxyethyl]-2-pyridinyl]amino]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
PubChem CID178028510
Molecular FormulaC24H24ClF2N7O5
Molecular Weight563.95 g/mol
Exact Mass563.15
IUPAC NameN-[(1S)-1-(4-chlorophenyl)-2-[[4-[(1S)-1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-methoxyethyl]-2-pyridinyl]amino]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
SMILESCOC[C@H](c1ccnc(NC(=O)[C@@H](NC(=O)c2nonc2C)c2ccc(Cl)cc2)c1)N1CC(F)(F)CNC1=O
InChIInChI=1S/C24H24ClF2N7O5/c1-13-19(33-39-32-13)21(35)31-20(14-3-5-16(25)6-4-14)22(36)30-18-9-15(7-8-28-18)17(10-38-2)34-12-24(26,27)11-29-23(34)37/h3-9,17,20H,10-12H2,1-2H3,(H,29,37)(H,31,35)(H,28,30,36)/t17-,20+/m1/s1
InChIKeyQGDRZJJOIMEREI-XLIONFOSSA-N
XLogP2.88
TPSA151.58 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500563.95
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[(1S)-1-(4-chlorophenyl)-2-[[4-[(1S)-1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-methoxyethyl]-2-pyridinyl]amino]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-chlorophenyl)-2-[[4-[(1S)-1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-methoxyethyl]-2-pyridinyl]amino]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of N-[(1S)-1-(4-chlorophenyl)-2-[[4-[(1S)-1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-methoxyethyl]-2-pyridinyl]amino]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide (CID 178028510) is N-[(1S)-1-(4-chlorophenyl)-2-[[4-[(1S)-1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-methoxyethyl]-2-pyridinyl]amino]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-(4-chlorophenyl)-2-[[4-[(1S)-1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-methoxyethyl]-2-pyridinyl]amino]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for N-[(1S)-1-(4-chlorophenyl)-2-[[4-[(1S)-1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-methoxyethyl]-2-pyridinyl]amino]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide is COC[C@H](c1ccnc(NC(=O)[C@@H](NC(=O)c2nonc2C)c2ccc(Cl)cc2)c1)N1CC(F)(F)CNC1=O.
What is the InChIKey of N-[(1S)-1-(4-chlorophenyl)-2-[[4-[(1S)-1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-methoxyethyl]-2-pyridinyl]amino]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is QGDRZJJOIMEREI-XLIONFOSSA-N. The full InChI is InChI=1S/C24H24ClF2N7O5/c1-13-19(33-39-32-13)21(35)31-20(14-3-5-16(25)6-4-14)22(36)30-18-9-15(7-8-28-18)17(10-38-2)34-12-24(26,27)11-29-23(34)37/h3-9,17,20H,10-12H2,1-2H3,(H,29,37)(H,31,35)(H,28,30,36)/t17-,20+/m1/s1.
What are the key properties of N-[(1S)-1-(4-chlorophenyl)-2-[[4-[(1S)-1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-methoxyethyl]-2-pyridinyl]amino]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?
N-[(1S)-1-(4-chlorophenyl)-2-[[4-[(1S)-1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-methoxyethyl]-2-pyridinyl]amino]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 563.95 g/mol, XLogP of 2.88, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-chlorophenyl)-2-[[4-[(1S)-1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-methoxyethyl]-2-pyridinyl]amino]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 178028510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).