N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-[6-[(2-oxopyrrolidin-1-yl)methyl]pyrimidin-4-yl]oxyindole-1-carboxamide

C25H19F4N5O3 — CID 59394009

IUPACN-[4-fluoro-3-(trifluoromethyl)phenyl]-5-[6-[(2-oxopyrrolidin-1-yl)methyl]pyrimidin-4-yl]oxyindole-1-carboxamide
SMILESO=C1CCCN1Cc1cc(Oc2ccc3c(ccn3C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2)ncn1
InChIInChI=1S/C25H19F4N5O3/c26-20-5-3-16(11-19(20)25(27,28)29)32-24(36)34-9-7-15-10-18(4-6-21(15)34)37-22-12-17(30-14-31-22)13-33-8-1-2-23(33)35/h3-7,9-12,14H,1-2,8,13H2,(H,32,36)
InChIKeyAEKUNAUCKHLNKB-UHFFFAOYSA-N
MW513.45 g/mol
LogP5.58
Rot. Bonds5

About N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-[6-[(2-oxopyrrolidin-1-yl)methyl]pyrimidin-4-yl]oxyindole-1-carboxamide

N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-[6-[(2-oxopyrrolidin-1-yl)methyl]pyrimidin-4-yl]oxyindole-1-carboxamide (PubChem CID 59394009) has the molecular formula C25H19F4N5O3 and a molecular weight of 513.45 g/mol. Its IUPAC name is N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-[6-[(2-oxopyrrolidin-1-yl)methyl]pyrimidin-4-yl]oxyindole-1-carboxamide.

Molecular Properties

Compound NameN-[4-fluoro-3-(trifluoromethyl)phenyl]-5-[6-[(2-oxopyrrolidin-1-yl)methyl]pyrimidin-4-yl]oxyindole-1-carboxamide
PubChem CID59394009
Molecular FormulaC25H19F4N5O3
Molecular Weight513.45 g/mol
Exact Mass513.14
IUPAC NameN-[4-fluoro-3-(trifluoromethyl)phenyl]-5-[6-[(2-oxopyrrolidin-1-yl)methyl]pyrimidin-4-yl]oxyindole-1-carboxamide
SMILESO=C1CCCN1Cc1cc(Oc2ccc3c(ccn3C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2)ncn1
InChIInChI=1S/C25H19F4N5O3/c26-20-5-3-16(11-19(20)25(27,28)29)32-24(36)34-9-7-15-10-18(4-6-21(15)34)37-22-12-17(30-14-31-22)13-33-8-1-2-23(33)35/h3-7,9-12,14H,1-2,8,13H2,(H,32,36)
InChIKeyAEKUNAUCKHLNKB-UHFFFAOYSA-N
XLogP5.58
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.45
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-[6-[(2-oxopyrrolidin-1-yl)methyl]pyrimidin-4-yl]oxyindole-1-carboxamide?
The IUPAC name of N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-[6-[(2-oxopyrrolidin-1-yl)methyl]pyrimidin-4-yl]oxyindole-1-carboxamide (CID 59394009) is N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-[6-[(2-oxopyrrolidin-1-yl)methyl]pyrimidin-4-yl]oxyindole-1-carboxamide.
What is the SMILES notation for N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-[6-[(2-oxopyrrolidin-1-yl)methyl]pyrimidin-4-yl]oxyindole-1-carboxamide?
The canonical SMILES for N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-[6-[(2-oxopyrrolidin-1-yl)methyl]pyrimidin-4-yl]oxyindole-1-carboxamide is O=C1CCCN1Cc1cc(Oc2ccc3c(ccn3C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2)ncn1.
What is the InChIKey of N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-[6-[(2-oxopyrrolidin-1-yl)methyl]pyrimidin-4-yl]oxyindole-1-carboxamide?
The InChIKey is AEKUNAUCKHLNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F4N5O3/c26-20-5-3-16(11-19(20)25(27,28)29)32-24(36)34-9-7-15-10-18(4-6-21(15)34)37-22-12-17(30-14-31-22)13-33-8-1-2-23(33)35/h3-7,9-12,14H,1-2,8,13H2,(H,32,36).
What are the key properties of N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-[6-[(2-oxopyrrolidin-1-yl)methyl]pyrimidin-4-yl]oxyindole-1-carboxamide?
N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-[6-[(2-oxopyrrolidin-1-yl)methyl]pyrimidin-4-yl]oxyindole-1-carboxamide has a molecular weight of 513.45 g/mol, XLogP of 5.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-[6-[(2-oxopyrrolidin-1-yl)methyl]pyrimidin-4-yl]oxyindole-1-carboxamide is sourced from PubChem (CID 59394009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).