5-(6-acetamidopyrimidin-4-yl)oxy-N-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide

C26H25F3N6O4 — CID 59596399

IUPAC5-(6-acetamidopyrimidin-4-yl)oxy-N-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide
SMILESCC(=O)Nc1cc(Oc2ccc3c(c2)CCN3C(=O)Nc2cc(N3CCOCC3)cc(C(F)(F)F)c2)ncn1
InChIInChI=1S/C26H25F3N6O4/c1-16(36)32-23-14-24(31-15-30-23)39-21-2-3-22-17(10-21)4-5-35(22)25(37)33-19-11-18(26(27,28)29)12-20(13-19)34-6-8-38-9-7-34/h2-3,10-15H,4-9H2,1H3,(H,33,37)(H,30,31,32,36)
InChIKeySKRYLKJPBZPYKZ-UHFFFAOYSA-N
MW542.52 g/mol
LogP4.68
Rot. Bonds5

About 5-(6-acetamidopyrimidin-4-yl)oxy-N-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide

5-(6-acetamidopyrimidin-4-yl)oxy-N-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide (PubChem CID 59596399) has the molecular formula C26H25F3N6O4 and a molecular weight of 542.52 g/mol. Its IUPAC name is 5-(6-acetamidopyrimidin-4-yl)oxy-N-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name5-(6-acetamidopyrimidin-4-yl)oxy-N-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide
PubChem CID59596399
Molecular FormulaC26H25F3N6O4
Molecular Weight542.52 g/mol
Exact Mass542.19
IUPAC Name5-(6-acetamidopyrimidin-4-yl)oxy-N-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide
SMILESCC(=O)Nc1cc(Oc2ccc3c(c2)CCN3C(=O)Nc2cc(N3CCOCC3)cc(C(F)(F)F)c2)ncn1
InChIInChI=1S/C26H25F3N6O4/c1-16(36)32-23-14-24(31-15-30-23)39-21-2-3-22-17(10-21)4-5-35(22)25(37)33-19-11-18(26(27,28)29)12-20(13-19)34-6-8-38-9-7-34/h2-3,10-15H,4-9H2,1H3,(H,33,37)(H,30,31,32,36)
InChIKeySKRYLKJPBZPYKZ-UHFFFAOYSA-N
XLogP4.68
TPSA108.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500542.52
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-[(1E)-{[2-(morpholin-4-yl)ethoxy]imino}methyl]pyrimidin-4-amine
CID 23646062
Nvp-bbt594
CID 59596344
N-(6-{4-[3-(3-Trifluoromethyl-phenyl)-ureido]-phenoxy}-pyrimidin-4-yl)-acetamide
CID 11201276
CID 16739919
CID 16739919
N-[(16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]morpholine-4-carboxamide
CID 16739952
1-{4-[6-(2-Hydroxy-ethylamino)-pyrimidin-4-yloxy]-phenyl}-3-(3-trifluoromethyl-phenyl)-urea
CID 24998584
5-[(7-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)oxy]-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide
CID 46224241
N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindole-1-carboxamide
CID 46224242
5-(5,6,7,8-Tetrahydro-pyrido[3,4-d]pyrimidin-4-yloxy)-indole-1-carboxylic acid (3-trifluoromethyl-phenyl)-amide
CID 46224262
5-(6-Hydroxymethyl-pyrimidin-4-yloxy)-indole-1-carboxylic acid (3-trifluoromethyl-phenyl)-amide
CID 59394183
5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide
CID 59394184
5-[(7-acetyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)oxy]-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide
CID 59394203

Frequently Asked Questions

What is the IUPAC name of 5-(6-acetamidopyrimidin-4-yl)oxy-N-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide?
The IUPAC name of 5-(6-acetamidopyrimidin-4-yl)oxy-N-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide (CID 59596399) is 5-(6-acetamidopyrimidin-4-yl)oxy-N-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for 5-(6-acetamidopyrimidin-4-yl)oxy-N-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for 5-(6-acetamidopyrimidin-4-yl)oxy-N-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide is CC(=O)Nc1cc(Oc2ccc3c(c2)CCN3C(=O)Nc2cc(N3CCOCC3)cc(C(F)(F)F)c2)ncn1.
What is the InChIKey of 5-(6-acetamidopyrimidin-4-yl)oxy-N-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide?
The InChIKey is SKRYLKJPBZPYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N6O4/c1-16(36)32-23-14-24(31-15-30-23)39-21-2-3-22-17(10-21)4-5-35(22)25(37)33-19-11-18(26(27,28)29)12-20(13-19)34-6-8-38-9-7-34/h2-3,10-15H,4-9H2,1H3,(H,33,37)(H,30,31,32,36).
What are the key properties of 5-(6-acetamidopyrimidin-4-yl)oxy-N-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide?
5-(6-acetamidopyrimidin-4-yl)oxy-N-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide has a molecular weight of 542.52 g/mol, XLogP of 4.68, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-acetamidopyrimidin-4-yl)oxy-N-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 59596399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).