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

C32H35F3N6O5 — CID 23540387

IUPACN-[2-methoxy-3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]-1-methyl-7-[2-(morpholin-4-ylmethyl)pyrimidin-4-yl]oxyindole-2-carboxamide
SMILESCOc1c(CN2CCOCC2)cc(C(F)(F)F)cc1NC(=O)c1cc2cccc(Oc3ccnc(CN4CCOCC4)n3)c2n1C
InChIInChI=1S/C32H35F3N6O5/c1-39-25(31(42)37-24-18-23(32(33,34)35)16-22(30(24)43-2)19-40-8-12-44-13-9-40)17-21-4-3-5-26(29(21)39)46-28-6-7-36-27(38-28)20-41-10-14-45-15-11-41/h3-7,16-18H,8-15,19-20H2,1-2H3,(H,37,42)
InChIKeyWBJITXJXCQMLDN-UHFFFAOYSA-N
MW640.66 g/mol
LogP4.70
Rot. Bonds9

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

N-[2-methoxy-3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]-1-methyl-7-[2-(morpholin-4-ylmethyl)pyrimidin-4-yl]oxyindole-2-carboxamide (PubChem CID 23540387) has the molecular formula C32H35F3N6O5 and a molecular weight of 640.66 g/mol. Its IUPAC name is N-[2-methoxy-3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]-1-methyl-7-[2-(morpholin-4-ylmethyl)pyrimidin-4-yl]oxyindole-2-carboxamide.

Molecular Properties

Compound NameN-[2-methoxy-3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]-1-methyl-7-[2-(morpholin-4-ylmethyl)pyrimidin-4-yl]oxyindole-2-carboxamide
PubChem CID23540387
Molecular FormulaC32H35F3N6O5
Molecular Weight640.66 g/mol
Exact Mass640.26
IUPAC NameN-[2-methoxy-3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]-1-methyl-7-[2-(morpholin-4-ylmethyl)pyrimidin-4-yl]oxyindole-2-carboxamide
SMILESCOc1c(CN2CCOCC2)cc(C(F)(F)F)cc1NC(=O)c1cc2cccc(Oc3ccnc(CN4CCOCC4)n3)c2n1C
InChIInChI=1S/C32H35F3N6O5/c1-39-25(31(42)37-24-18-23(32(33,34)35)16-22(30(24)43-2)19-40-8-12-44-13-9-40)17-21-4-3-5-26(29(21)39)46-28-6-7-36-27(38-28)20-41-10-14-45-15-11-41/h3-7,16-18H,8-15,19-20H2,1-2H3,(H,37,42)
InChIKeyWBJITXJXCQMLDN-UHFFFAOYSA-N
XLogP4.70
TPSA103.21 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500640.66
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]-1-methyl-7-[2-(morpholin-4-ylmethyl)pyrimidin-4-yl]oxyindole-2-carboxamide?
The IUPAC name of N-[2-methoxy-3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]-1-methyl-7-[2-(morpholin-4-ylmethyl)pyrimidin-4-yl]oxyindole-2-carboxamide (CID 23540387) is N-[2-methoxy-3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]-1-methyl-7-[2-(morpholin-4-ylmethyl)pyrimidin-4-yl]oxyindole-2-carboxamide.
What is the SMILES notation for N-[2-methoxy-3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]-1-methyl-7-[2-(morpholin-4-ylmethyl)pyrimidin-4-yl]oxyindole-2-carboxamide?
The canonical SMILES for N-[2-methoxy-3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]-1-methyl-7-[2-(morpholin-4-ylmethyl)pyrimidin-4-yl]oxyindole-2-carboxamide is COc1c(CN2CCOCC2)cc(C(F)(F)F)cc1NC(=O)c1cc2cccc(Oc3ccnc(CN4CCOCC4)n3)c2n1C.
What is the InChIKey of N-[2-methoxy-3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]-1-methyl-7-[2-(morpholin-4-ylmethyl)pyrimidin-4-yl]oxyindole-2-carboxamide?
The InChIKey is WBJITXJXCQMLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35F3N6O5/c1-39-25(31(42)37-24-18-23(32(33,34)35)16-22(30(24)43-2)19-40-8-12-44-13-9-40)17-21-4-3-5-26(29(21)39)46-28-6-7-36-27(38-28)20-41-10-14-45-15-11-41/h3-7,16-18H,8-15,19-20H2,1-2H3,(H,37,42).
What are the key properties of N-[2-methoxy-3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]-1-methyl-7-[2-(morpholin-4-ylmethyl)pyrimidin-4-yl]oxyindole-2-carboxamide?
N-[2-methoxy-3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]-1-methyl-7-[2-(morpholin-4-ylmethyl)pyrimidin-4-yl]oxyindole-2-carboxamide has a molecular weight of 640.66 g/mol, XLogP of 4.70, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]-1-methyl-7-[2-(morpholin-4-ylmethyl)pyrimidin-4-yl]oxyindole-2-carboxamide is sourced from PubChem (CID 23540387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).