6-chloro-N-[5-chloro-2-[4-(2-oxo-1,3-oxazinan-3-yl)piperidin-1-yl]phenyl]-3-[3-[1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-1H-indole-2-carboxamide

C41H37Cl3N6O3 — CID 71155301

IUPAC6-chloro-N-[5-chloro-2-[4-(2-oxo-1,3-oxazinan-3-yl)piperidin-1-yl]phenyl]-3-[3-[1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-1H-indole-2-carboxamide
SMILESCC(c1ccc(Cl)cc1)n1cnc(-c2ccccc2)c1-c1c(C(=O)Nc2cc(Cl)ccc2N2CCC(N3CCCOC3=O)CC2)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C41H37Cl3N6O3/c1-25(26-8-10-28(42)11-9-26)50-24-45-37(27-6-3-2-4-7-27)39(50)36-32-14-12-29(43)22-33(32)46-38(36)40(51)47-34-23-30(44)13-15-35(34)48-19-16-31(17-20-48)49-18-5-21-53-41(49)52/h2-4,6-15,22-25,31,46H,5,16-21H2,1H3,(H,47,51)
InChIKeyWVEYXCJGJNNOPJ-UHFFFAOYSA-N
MW768.15 g/mol
LogP10.33
Rot. Bonds8

About 6-chloro-N-[5-chloro-2-[4-(2-oxo-1,3-oxazinan-3-yl)piperidin-1-yl]phenyl]-3-[3-[1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-1H-indole-2-carboxamide

6-chloro-N-[5-chloro-2-[4-(2-oxo-1,3-oxazinan-3-yl)piperidin-1-yl]phenyl]-3-[3-[1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-1H-indole-2-carboxamide (PubChem CID 71155301) has the molecular formula C41H37Cl3N6O3 and a molecular weight of 768.15 g/mol. Its IUPAC name is 6-chloro-N-[5-chloro-2-[4-(2-oxo-1,3-oxazinan-3-yl)piperidin-1-yl]phenyl]-3-[3-[1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[5-chloro-2-[4-(2-oxo-1,3-oxazinan-3-yl)piperidin-1-yl]phenyl]-3-[3-[1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-1H-indole-2-carboxamide
PubChem CID71155301
Molecular FormulaC41H37Cl3N6O3
Molecular Weight768.15 g/mol
Exact Mass766.20
IUPAC Name6-chloro-N-[5-chloro-2-[4-(2-oxo-1,3-oxazinan-3-yl)piperidin-1-yl]phenyl]-3-[3-[1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-1H-indole-2-carboxamide
SMILESCC(c1ccc(Cl)cc1)n1cnc(-c2ccccc2)c1-c1c(C(=O)Nc2cc(Cl)ccc2N2CCC(N3CCCOC3=O)CC2)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C41H37Cl3N6O3/c1-25(26-8-10-28(42)11-9-26)50-24-45-37(27-6-3-2-4-7-27)39(50)36-32-14-12-29(43)22-33(32)46-38(36)40(51)47-34-23-30(44)13-15-35(34)48-19-16-31(17-20-48)49-18-5-21-53-41(49)52/h2-4,6-15,22-25,31,46H,5,16-21H2,1H3,(H,47,51)
InChIKeyWVEYXCJGJNNOPJ-UHFFFAOYSA-N
XLogP10.33
TPSA95.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.15
LogP ≤ 510.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-chloro-N-[5-chloro-2-[4-(2-oxo-1,3-oxazinan-3-yl)piperidin-1-yl]phenyl]-3-[3-[1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-1H-indole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[5-chloro-2-[4-(2-oxo-1,3-oxazinan-3-yl)piperidin-1-yl]phenyl]-3-[3-[1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-1H-indole-2-carboxamide?
The IUPAC name of 6-chloro-N-[5-chloro-2-[4-(2-oxo-1,3-oxazinan-3-yl)piperidin-1-yl]phenyl]-3-[3-[1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-1H-indole-2-carboxamide (CID 71155301) is 6-chloro-N-[5-chloro-2-[4-(2-oxo-1,3-oxazinan-3-yl)piperidin-1-yl]phenyl]-3-[3-[1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[5-chloro-2-[4-(2-oxo-1,3-oxazinan-3-yl)piperidin-1-yl]phenyl]-3-[3-[1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-1H-indole-2-carboxamide?
The canonical SMILES for 6-chloro-N-[5-chloro-2-[4-(2-oxo-1,3-oxazinan-3-yl)piperidin-1-yl]phenyl]-3-[3-[1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-1H-indole-2-carboxamide is CC(c1ccc(Cl)cc1)n1cnc(-c2ccccc2)c1-c1c(C(=O)Nc2cc(Cl)ccc2N2CCC(N3CCCOC3=O)CC2)[nH]c2cc(Cl)ccc12.
What is the InChIKey of 6-chloro-N-[5-chloro-2-[4-(2-oxo-1,3-oxazinan-3-yl)piperidin-1-yl]phenyl]-3-[3-[1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-1H-indole-2-carboxamide?
The InChIKey is WVEYXCJGJNNOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H37Cl3N6O3/c1-25(26-8-10-28(42)11-9-26)50-24-45-37(27-6-3-2-4-7-27)39(50)36-32-14-12-29(43)22-33(32)46-38(36)40(51)47-34-23-30(44)13-15-35(34)48-19-16-31(17-20-48)49-18-5-21-53-41(49)52/h2-4,6-15,22-25,31,46H,5,16-21H2,1H3,(H,47,51).
What are the key properties of 6-chloro-N-[5-chloro-2-[4-(2-oxo-1,3-oxazinan-3-yl)piperidin-1-yl]phenyl]-3-[3-[1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-1H-indole-2-carboxamide?
6-chloro-N-[5-chloro-2-[4-(2-oxo-1,3-oxazinan-3-yl)piperidin-1-yl]phenyl]-3-[3-[1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-1H-indole-2-carboxamide has a molecular weight of 768.15 g/mol, XLogP of 10.33, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[5-chloro-2-[4-(2-oxo-1,3-oxazinan-3-yl)piperidin-1-yl]phenyl]-3-[3-[1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 71155301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).