N-[2-chloro-5-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]phenyl]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5-(trifluoromethyl)benzamide

C32H31ClF3N5O2 — CID 58397090

IUPACN-[2-chloro-5-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]phenyl]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5-(trifluoromethyl)benzamide
SMILESCCc1cc(-c2cccnc2Oc2ccc(Cl)c(NC(=O)c3cc(C(F)(F)F)ccc3N3CC[C@@H](N(C)C)C3)c2)ccn1
InChIInChI=1S/C32H31ClF3N5O2/c1-4-22-16-20(11-14-37-22)25-6-5-13-38-31(25)43-24-8-9-27(33)28(18-24)39-30(42)26-17-21(32(34,35)36)7-10-29(26)41-15-12-23(19-41)40(2)3/h5-11,13-14,16-18,23H,4,12,15,19H2,1-3H3,(H,39,42)/t23-/m1/s1
InChIKeyPMPJSSBSRBFRGS-HSZRJFAPSA-N
MW610.08 g/mol
LogP7.56
Rot. Bonds8

About N-[2-chloro-5-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]phenyl]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5-(trifluoromethyl)benzamide

N-[2-chloro-5-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]phenyl]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5-(trifluoromethyl)benzamide (PubChem CID 58397090) has the molecular formula C32H31ClF3N5O2 and a molecular weight of 610.08 g/mol. Its IUPAC name is N-[2-chloro-5-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]phenyl]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-chloro-5-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]phenyl]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5-(trifluoromethyl)benzamide
PubChem CID58397090
Molecular FormulaC32H31ClF3N5O2
Molecular Weight610.08 g/mol
Exact Mass609.21
IUPAC NameN-[2-chloro-5-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]phenyl]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5-(trifluoromethyl)benzamide
SMILESCCc1cc(-c2cccnc2Oc2ccc(Cl)c(NC(=O)c3cc(C(F)(F)F)ccc3N3CC[C@@H](N(C)C)C3)c2)ccn1
InChIInChI=1S/C32H31ClF3N5O2/c1-4-22-16-20(11-14-37-22)25-6-5-13-38-31(25)43-24-8-9-27(33)28(18-24)39-30(42)26-17-21(32(34,35)36)7-10-29(26)41-15-12-23(19-41)40(2)3/h5-11,13-14,16-18,23H,4,12,15,19H2,1-3H3,(H,39,42)/t23-/m1/s1
InChIKeyPMPJSSBSRBFRGS-HSZRJFAPSA-N
XLogP7.56
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.08
LogP ≤ 57.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-chloro-5-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]phenyl]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5-(trifluoromethyl)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-[2-chloro-5-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]phenyl]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-chloro-5-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]phenyl]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5-(trifluoromethyl)benzamide (CID 58397090) is N-[2-chloro-5-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]phenyl]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-chloro-5-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]phenyl]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-chloro-5-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]phenyl]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5-(trifluoromethyl)benzamide is CCc1cc(-c2cccnc2Oc2ccc(Cl)c(NC(=O)c3cc(C(F)(F)F)ccc3N3CC[C@@H](N(C)C)C3)c2)ccn1.
What is the InChIKey of N-[2-chloro-5-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]phenyl]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5-(trifluoromethyl)benzamide?
The InChIKey is PMPJSSBSRBFRGS-HSZRJFAPSA-N. The full InChI is InChI=1S/C32H31ClF3N5O2/c1-4-22-16-20(11-14-37-22)25-6-5-13-38-31(25)43-24-8-9-27(33)28(18-24)39-30(42)26-17-21(32(34,35)36)7-10-29(26)41-15-12-23(19-41)40(2)3/h5-11,13-14,16-18,23H,4,12,15,19H2,1-3H3,(H,39,42)/t23-/m1/s1.
What are the key properties of N-[2-chloro-5-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]phenyl]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5-(trifluoromethyl)benzamide?
N-[2-chloro-5-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]phenyl]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5-(trifluoromethyl)benzamide has a molecular weight of 610.08 g/mol, XLogP of 7.56, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]phenyl]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 58397090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).