N-[1-[3-(4-chlorophenyl)pyrazin-2-yl]-2-(3,5-difluorophenyl)ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide

C28H21ClF2N4O2 — CID 71187097

IUPACN-[1-[3-(4-chlorophenyl)pyrazin-2-yl]-2-(3,5-difluorophenyl)ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2ccc(O)cc12)NC(Cc1cc(F)cc(F)c1)c1nccnc1-c1ccc(Cl)cc1
InChIInChI=1S/C28H21ClF2N4O2/c29-19-3-1-17(2-4-19)27-28(33-8-7-32-27)25(11-16-9-20(30)13-21(31)10-16)35-26(37)12-18-15-34-24-6-5-22(36)14-23(18)24/h1-10,13-15,25,34,36H,11-12H2,(H,35,37)
InChIKeyDQIIUKPDCVPEKE-UHFFFAOYSA-N
MW518.95 g/mol
LogP5.90
Rot. Bonds7

About N-[1-[3-(4-chlorophenyl)pyrazin-2-yl]-2-(3,5-difluorophenyl)ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide

N-[1-[3-(4-chlorophenyl)pyrazin-2-yl]-2-(3,5-difluorophenyl)ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide (PubChem CID 71187097) has the molecular formula C28H21ClF2N4O2 and a molecular weight of 518.95 g/mol. Its IUPAC name is N-[1-[3-(4-chlorophenyl)pyrazin-2-yl]-2-(3,5-difluorophenyl)ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[1-[3-(4-chlorophenyl)pyrazin-2-yl]-2-(3,5-difluorophenyl)ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide
PubChem CID71187097
Molecular FormulaC28H21ClF2N4O2
Molecular Weight518.95 g/mol
Exact Mass518.13
IUPAC NameN-[1-[3-(4-chlorophenyl)pyrazin-2-yl]-2-(3,5-difluorophenyl)ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2ccc(O)cc12)NC(Cc1cc(F)cc(F)c1)c1nccnc1-c1ccc(Cl)cc1
InChIInChI=1S/C28H21ClF2N4O2/c29-19-3-1-17(2-4-19)27-28(33-8-7-32-27)25(11-16-9-20(30)13-21(31)10-16)35-26(37)12-18-15-34-24-6-5-22(36)14-23(18)24/h1-10,13-15,25,34,36H,11-12H2,(H,35,37)
InChIKeyDQIIUKPDCVPEKE-UHFFFAOYSA-N
XLogP5.90
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.95
LogP ≤ 55.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(4-chlorophenyl)pyrazin-2-yl]-2-(3,5-difluorophenyl)ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide?
The IUPAC name of N-[1-[3-(4-chlorophenyl)pyrazin-2-yl]-2-(3,5-difluorophenyl)ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide (CID 71187097) is N-[1-[3-(4-chlorophenyl)pyrazin-2-yl]-2-(3,5-difluorophenyl)ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[1-[3-(4-chlorophenyl)pyrazin-2-yl]-2-(3,5-difluorophenyl)ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide?
The canonical SMILES for N-[1-[3-(4-chlorophenyl)pyrazin-2-yl]-2-(3,5-difluorophenyl)ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide is O=C(Cc1c[nH]c2ccc(O)cc12)NC(Cc1cc(F)cc(F)c1)c1nccnc1-c1ccc(Cl)cc1.
What is the InChIKey of N-[1-[3-(4-chlorophenyl)pyrazin-2-yl]-2-(3,5-difluorophenyl)ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide?
The InChIKey is DQIIUKPDCVPEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21ClF2N4O2/c29-19-3-1-17(2-4-19)27-28(33-8-7-32-27)25(11-16-9-20(30)13-21(31)10-16)35-26(37)12-18-15-34-24-6-5-22(36)14-23(18)24/h1-10,13-15,25,34,36H,11-12H2,(H,35,37).
What are the key properties of N-[1-[3-(4-chlorophenyl)pyrazin-2-yl]-2-(3,5-difluorophenyl)ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide?
N-[1-[3-(4-chlorophenyl)pyrazin-2-yl]-2-(3,5-difluorophenyl)ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide has a molecular weight of 518.95 g/mol, XLogP of 5.90, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(4-chlorophenyl)pyrazin-2-yl]-2-(3,5-difluorophenyl)ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide is sourced from PubChem (CID 71187097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).