N-[3-[(dimethylamino)methyl]-2-methoxy-5-(trifluoromethyl)phenyl]-1-methyl-7-[2-(2-morpholin-4-ylethyl)pyrimidin-4-yl]oxyindole-2-carboxamide

C31H35F3N6O4 — CID 23540391

IUPACN-[3-[(dimethylamino)methyl]-2-methoxy-5-(trifluoromethyl)phenyl]-1-methyl-7-[2-(2-morpholin-4-ylethyl)pyrimidin-4-yl]oxyindole-2-carboxamide
SMILESCOc1c(CN(C)C)cc(C(F)(F)F)cc1NC(=O)c1cc2cccc(Oc3ccnc(CCN4CCOCC4)n3)c2n1C
InChIInChI=1S/C31H35F3N6O4/c1-38(2)19-21-16-22(31(32,33)34)18-23(29(21)42-4)36-30(41)24-17-20-6-5-7-25(28(20)39(24)3)44-27-8-10-35-26(37-27)9-11-40-12-14-43-15-13-40/h5-8,10,16-18H,9,11-15,19H2,1-4H3,(H,36,41)
InChIKeyWNTCGUCNZSRREY-UHFFFAOYSA-N
MW612.65 g/mol
LogP4.98
Rot. Bonds10

About N-[3-[(dimethylamino)methyl]-2-methoxy-5-(trifluoromethyl)phenyl]-1-methyl-7-[2-(2-morpholin-4-ylethyl)pyrimidin-4-yl]oxyindole-2-carboxamide

N-[3-[(dimethylamino)methyl]-2-methoxy-5-(trifluoromethyl)phenyl]-1-methyl-7-[2-(2-morpholin-4-ylethyl)pyrimidin-4-yl]oxyindole-2-carboxamide (PubChem CID 23540391) has the molecular formula C31H35F3N6O4 and a molecular weight of 612.65 g/mol. Its IUPAC name is N-[3-[(dimethylamino)methyl]-2-methoxy-5-(trifluoromethyl)phenyl]-1-methyl-7-[2-(2-morpholin-4-ylethyl)pyrimidin-4-yl]oxyindole-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(dimethylamino)methyl]-2-methoxy-5-(trifluoromethyl)phenyl]-1-methyl-7-[2-(2-morpholin-4-ylethyl)pyrimidin-4-yl]oxyindole-2-carboxamide
PubChem CID23540391
Molecular FormulaC31H35F3N6O4
Molecular Weight612.65 g/mol
Exact Mass612.27
IUPAC NameN-[3-[(dimethylamino)methyl]-2-methoxy-5-(trifluoromethyl)phenyl]-1-methyl-7-[2-(2-morpholin-4-ylethyl)pyrimidin-4-yl]oxyindole-2-carboxamide
SMILESCOc1c(CN(C)C)cc(C(F)(F)F)cc1NC(=O)c1cc2cccc(Oc3ccnc(CCN4CCOCC4)n3)c2n1C
InChIInChI=1S/C31H35F3N6O4/c1-38(2)19-21-16-22(31(32,33)34)18-23(29(21)42-4)36-30(41)24-17-20-6-5-7-25(28(20)39(24)3)44-27-8-10-35-26(37-27)9-11-40-12-14-43-15-13-40/h5-8,10,16-18H,9,11-15,19H2,1-4H3,(H,36,41)
InChIKeyWNTCGUCNZSRREY-UHFFFAOYSA-N
XLogP4.98
TPSA93.98 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500612.65
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[3-[(dimethylamino)methyl]-2-methoxy-5-(trifluoromethyl)phenyl]-1-methyl-7-[2-(2-morpholin-4-ylethyl)pyrimidin-4-yl]oxyindole-2-carboxamide 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-[3-[(dimethylamino)methyl]-2-methoxy-5-(trifluoromethyl)phenyl]-1-methyl-7-[2-(2-morpholin-4-ylethyl)pyrimidin-4-yl]oxyindole-2-carboxamide?
The IUPAC name of N-[3-[(dimethylamino)methyl]-2-methoxy-5-(trifluoromethyl)phenyl]-1-methyl-7-[2-(2-morpholin-4-ylethyl)pyrimidin-4-yl]oxyindole-2-carboxamide (CID 23540391) is N-[3-[(dimethylamino)methyl]-2-methoxy-5-(trifluoromethyl)phenyl]-1-methyl-7-[2-(2-morpholin-4-ylethyl)pyrimidin-4-yl]oxyindole-2-carboxamide.
What is the SMILES notation for N-[3-[(dimethylamino)methyl]-2-methoxy-5-(trifluoromethyl)phenyl]-1-methyl-7-[2-(2-morpholin-4-ylethyl)pyrimidin-4-yl]oxyindole-2-carboxamide?
The canonical SMILES for N-[3-[(dimethylamino)methyl]-2-methoxy-5-(trifluoromethyl)phenyl]-1-methyl-7-[2-(2-morpholin-4-ylethyl)pyrimidin-4-yl]oxyindole-2-carboxamide is COc1c(CN(C)C)cc(C(F)(F)F)cc1NC(=O)c1cc2cccc(Oc3ccnc(CCN4CCOCC4)n3)c2n1C.
What is the InChIKey of N-[3-[(dimethylamino)methyl]-2-methoxy-5-(trifluoromethyl)phenyl]-1-methyl-7-[2-(2-morpholin-4-ylethyl)pyrimidin-4-yl]oxyindole-2-carboxamide?
The InChIKey is WNTCGUCNZSRREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35F3N6O4/c1-38(2)19-21-16-22(31(32,33)34)18-23(29(21)42-4)36-30(41)24-17-20-6-5-7-25(28(20)39(24)3)44-27-8-10-35-26(37-27)9-11-40-12-14-43-15-13-40/h5-8,10,16-18H,9,11-15,19H2,1-4H3,(H,36,41).
What are the key properties of N-[3-[(dimethylamino)methyl]-2-methoxy-5-(trifluoromethyl)phenyl]-1-methyl-7-[2-(2-morpholin-4-ylethyl)pyrimidin-4-yl]oxyindole-2-carboxamide?
N-[3-[(dimethylamino)methyl]-2-methoxy-5-(trifluoromethyl)phenyl]-1-methyl-7-[2-(2-morpholin-4-ylethyl)pyrimidin-4-yl]oxyindole-2-carboxamide has a molecular weight of 612.65 g/mol, XLogP of 4.98, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(dimethylamino)methyl]-2-methoxy-5-(trifluoromethyl)phenyl]-1-methyl-7-[2-(2-morpholin-4-ylethyl)pyrimidin-4-yl]oxyindole-2-carboxamide is sourced from PubChem (CID 23540391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).