N-[1-[3-[4-[2-[(2-cyclopentylacetyl)amino]-2-pyridin-2-yl-2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]-5-(trifluoromethyl)phenyl]-2-phenyl-1-pyridin-2-ylethyl]-3-(trifluoromethoxy)benzamide

C55H45F9N4O3 — CID 143473940

IUPACN-[1-[3-[4-[2-[(2-cyclopentylacetyl)amino]-2-pyridin-2-yl-2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]-5-(trifluoromethyl)phenyl]-2-phenyl-1-pyridin-2-ylethyl]-3-(trifluoromethoxy)benzamide
SMILESO=C(CC1CCCC1)NC(Cc1ccc(-c2cc(C(F)(F)F)cc(C(Cc3ccccc3)(NC(=O)c3cccc(OC(F)(F)F)c3)c3ccccn3)c2)cc1)(c1cccc(C(F)(F)F)c1)c1ccccn1
InChIInChI=1S/C55H45F9N4O3/c56-53(57,58)43-18-11-17-42(32-43)51(47-20-6-8-26-65-47,67-49(69)28-36-12-4-5-13-36)35-38-22-24-39(25-23-38)41-29-44(33-45(30-41)54(59,60)61)52(48-21-7-9-27-66-48,34-37-14-2-1-3-15-37)68-50(70)40-16-10-19-46(31-40)71-55(62,63)64/h1-3,6-11,14-27,29-33,36H,4-5,12-13,28,34-35H2,(H,67,69)(H,68,70)
InChIKeyRTCLCRQDWRPTAG-UHFFFAOYSA-N
MW980.97 g/mol
LogP13.18
Rot. Bonds15

About N-[1-[3-[4-[2-[(2-cyclopentylacetyl)amino]-2-pyridin-2-yl-2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]-5-(trifluoromethyl)phenyl]-2-phenyl-1-pyridin-2-ylethyl]-3-(trifluoromethoxy)benzamide

N-[1-[3-[4-[2-[(2-cyclopentylacetyl)amino]-2-pyridin-2-yl-2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]-5-(trifluoromethyl)phenyl]-2-phenyl-1-pyridin-2-ylethyl]-3-(trifluoromethoxy)benzamide (PubChem CID 143473940) has the molecular formula C55H45F9N4O3 and a molecular weight of 980.97 g/mol. Its IUPAC name is N-[1-[3-[4-[2-[(2-cyclopentylacetyl)amino]-2-pyridin-2-yl-2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]-5-(trifluoromethyl)phenyl]-2-phenyl-1-pyridin-2-ylethyl]-3-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[1-[3-[4-[2-[(2-cyclopentylacetyl)amino]-2-pyridin-2-yl-2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]-5-(trifluoromethyl)phenyl]-2-phenyl-1-pyridin-2-ylethyl]-3-(trifluoromethoxy)benzamide
PubChem CID143473940
Molecular FormulaC55H45F9N4O3
Molecular Weight980.97 g/mol
Exact Mass980.33
IUPAC NameN-[1-[3-[4-[2-[(2-cyclopentylacetyl)amino]-2-pyridin-2-yl-2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]-5-(trifluoromethyl)phenyl]-2-phenyl-1-pyridin-2-ylethyl]-3-(trifluoromethoxy)benzamide
SMILESO=C(CC1CCCC1)NC(Cc1ccc(-c2cc(C(F)(F)F)cc(C(Cc3ccccc3)(NC(=O)c3cccc(OC(F)(F)F)c3)c3ccccn3)c2)cc1)(c1cccc(C(F)(F)F)c1)c1ccccn1
InChIInChI=1S/C55H45F9N4O3/c56-53(57,58)43-18-11-17-42(32-43)51(47-20-6-8-26-65-47,67-49(69)28-36-12-4-5-13-36)35-38-22-24-39(25-23-38)41-29-44(33-45(30-41)54(59,60)61)52(48-21-7-9-27-66-48,34-37-14-2-1-3-15-37)68-50(70)40-16-10-19-46(31-40)71-55(62,63)64/h1-3,6-11,14-27,29-33,36H,4-5,12-13,28,34-35H2,(H,67,69)(H,68,70)
InChIKeyRTCLCRQDWRPTAG-UHFFFAOYSA-N
XLogP13.18
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500980.97
LogP ≤ 513.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-[3-[4-[2-[(2-cyclopentylacetyl)amino]-2-pyridin-2-yl-2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]-5-(trifluoromethyl)phenyl]-2-phenyl-1-pyridin-2-ylethyl]-3-(trifluoromethoxy)benzamide 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-[1-[3-[4-[2-[(2-cyclopentylacetyl)amino]-2-pyridin-2-yl-2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]-5-(trifluoromethyl)phenyl]-2-phenyl-1-pyridin-2-ylethyl]-3-(trifluoromethoxy)benzamide?
The IUPAC name of N-[1-[3-[4-[2-[(2-cyclopentylacetyl)amino]-2-pyridin-2-yl-2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]-5-(trifluoromethyl)phenyl]-2-phenyl-1-pyridin-2-ylethyl]-3-(trifluoromethoxy)benzamide (CID 143473940) is N-[1-[3-[4-[2-[(2-cyclopentylacetyl)amino]-2-pyridin-2-yl-2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]-5-(trifluoromethyl)phenyl]-2-phenyl-1-pyridin-2-ylethyl]-3-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[1-[3-[4-[2-[(2-cyclopentylacetyl)amino]-2-pyridin-2-yl-2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]-5-(trifluoromethyl)phenyl]-2-phenyl-1-pyridin-2-ylethyl]-3-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[1-[3-[4-[2-[(2-cyclopentylacetyl)amino]-2-pyridin-2-yl-2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]-5-(trifluoromethyl)phenyl]-2-phenyl-1-pyridin-2-ylethyl]-3-(trifluoromethoxy)benzamide is O=C(CC1CCCC1)NC(Cc1ccc(-c2cc(C(F)(F)F)cc(C(Cc3ccccc3)(NC(=O)c3cccc(OC(F)(F)F)c3)c3ccccn3)c2)cc1)(c1cccc(C(F)(F)F)c1)c1ccccn1.
What is the InChIKey of N-[1-[3-[4-[2-[(2-cyclopentylacetyl)amino]-2-pyridin-2-yl-2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]-5-(trifluoromethyl)phenyl]-2-phenyl-1-pyridin-2-ylethyl]-3-(trifluoromethoxy)benzamide?
The InChIKey is RTCLCRQDWRPTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H45F9N4O3/c56-53(57,58)43-18-11-17-42(32-43)51(47-20-6-8-26-65-47,67-49(69)28-36-12-4-5-13-36)35-38-22-24-39(25-23-38)41-29-44(33-45(30-41)54(59,60)61)52(48-21-7-9-27-66-48,34-37-14-2-1-3-15-37)68-50(70)40-16-10-19-46(31-40)71-55(62,63)64/h1-3,6-11,14-27,29-33,36H,4-5,12-13,28,34-35H2,(H,67,69)(H,68,70).
What are the key properties of N-[1-[3-[4-[2-[(2-cyclopentylacetyl)amino]-2-pyridin-2-yl-2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]-5-(trifluoromethyl)phenyl]-2-phenyl-1-pyridin-2-ylethyl]-3-(trifluoromethoxy)benzamide?
N-[1-[3-[4-[2-[(2-cyclopentylacetyl)amino]-2-pyridin-2-yl-2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]-5-(trifluoromethyl)phenyl]-2-phenyl-1-pyridin-2-ylethyl]-3-(trifluoromethoxy)benzamide has a molecular weight of 980.97 g/mol, XLogP of 13.18, 15 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-[4-[2-[(2-cyclopentylacetyl)amino]-2-pyridin-2-yl-2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]-5-(trifluoromethyl)phenyl]-2-phenyl-1-pyridin-2-ylethyl]-3-(trifluoromethoxy)benzamide is sourced from PubChem (CID 143473940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).