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

C25H25F3N6O4 — CID 59596386

IUPAC5-(6-acetamidopyrimidin-4-yl)oxy-N-[4-(2-hydroxypropylamino)-3-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide
SMILESCC(=O)Nc1cc(Oc2ccc3c(c2)CCN3C(=O)Nc2ccc(NCC(C)O)c(C(F)(F)F)c2)ncn1
InChIInChI=1S/C25H25F3N6O4/c1-14(35)12-29-20-5-3-17(10-19(20)25(26,27)28)33-24(37)34-8-7-16-9-18(4-6-21(16)34)38-23-11-22(30-13-31-23)32-15(2)36/h3-6,9-11,13-14,29,35H,7-8,12H2,1-2H3,(H,33,37)(H,30,31,32,36)
InChIKeyOGKQFTBKAXEFSP-UHFFFAOYSA-N
MW530.51 g/mol
LogP4.63
Rot. Bonds7

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

5-(6-acetamidopyrimidin-4-yl)oxy-N-[4-(2-hydroxypropylamino)-3-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide (PubChem CID 59596386) has the molecular formula C25H25F3N6O4 and a molecular weight of 530.51 g/mol. Its IUPAC name is 5-(6-acetamidopyrimidin-4-yl)oxy-N-[4-(2-hydroxypropylamino)-3-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name5-(6-acetamidopyrimidin-4-yl)oxy-N-[4-(2-hydroxypropylamino)-3-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide
PubChem CID59596386
Molecular FormulaC25H25F3N6O4
Molecular Weight530.51 g/mol
Exact Mass530.19
IUPAC Name5-(6-acetamidopyrimidin-4-yl)oxy-N-[4-(2-hydroxypropylamino)-3-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide
SMILESCC(=O)Nc1cc(Oc2ccc3c(c2)CCN3C(=O)Nc2ccc(NCC(C)O)c(C(F)(F)F)c2)ncn1
InChIInChI=1S/C25H25F3N6O4/c1-14(35)12-29-20-5-3-17(10-19(20)25(26,27)28)33-24(37)34-8-7-16-9-18(4-6-21(16)34)38-23-11-22(30-13-31-23)32-15(2)36/h3-6,9-11,13-14,29,35H,7-8,12H2,1-2H3,(H,33,37)(H,30,31,32,36)
InChIKeyOGKQFTBKAXEFSP-UHFFFAOYSA-N
XLogP4.63
TPSA128.71 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.51
LogP ≤ 54.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

5-(6-acetamidopyrimidin-4-yl)oxy-N-[4-(diethylaminomethyl)-3-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide
CID 59596340
5-(6-acetamidopyrimidin-4-yl)oxy-N-[4-(1-methylpiperidin-4-yl)oxy-3-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide
CID 59596417
2-[4-[[5-(6-acetamidopyrimidin-4-yl)oxy-2,3-dihydroindole-1-carbonyl]amino]-2-(trifluoromethyl)phenyl]piperazine-1-carboxylic acid
CID 67530725
N-(4-tert-butylphenyl)-6-[6-(methylamino)pyrimidin-4-yl]oxy-3,4-dihydro-2H-quinoline-1-carboxamide
CID 11711699
5-[6-(2-methoxyacetyl)pyrimidin-4-yl]oxy-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide
CID 59596395
5-(6-chloropyrimidin-4-yl)oxy-N-[4-[(4-cyclopropylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide;N,N-diethylethanamine
CID 158191668
5-(6-acetamidopyrimidin-4-yl)oxy-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]-3-(trifluoromethyl)phenyl]indole-1-carboxamide
CID 151856666
N-[6-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-4-fluorophenoxy]pyrimidin-4-yl]acetamide
CID 123983166
7-(2-aminopyrimidin-4-yl)oxy-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 59596404
6-(6-acetamidopyrimidin-4-yl)oxy-N-[4-(4-benzylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide
CID 23652645
1-[4-[6-(4-hydroxyanilino)pyrimidin-4-yl]oxyphenyl]-3-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]urea
CID 58659418
5-(6-acetamidopyrimidin-4-yl)oxy-N-[4-pyridin-3-yl-3-(trifluoromethyl)phenyl]indole-1-carboxamide
CID 151558581

Frequently Asked Questions

What is the IUPAC name of 5-(6-acetamidopyrimidin-4-yl)oxy-N-[4-(2-hydroxypropylamino)-3-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide?
The IUPAC name of 5-(6-acetamidopyrimidin-4-yl)oxy-N-[4-(2-hydroxypropylamino)-3-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide (CID 59596386) is 5-(6-acetamidopyrimidin-4-yl)oxy-N-[4-(2-hydroxypropylamino)-3-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for 5-(6-acetamidopyrimidin-4-yl)oxy-N-[4-(2-hydroxypropylamino)-3-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for 5-(6-acetamidopyrimidin-4-yl)oxy-N-[4-(2-hydroxypropylamino)-3-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide is CC(=O)Nc1cc(Oc2ccc3c(c2)CCN3C(=O)Nc2ccc(NCC(C)O)c(C(F)(F)F)c2)ncn1.
What is the InChIKey of 5-(6-acetamidopyrimidin-4-yl)oxy-N-[4-(2-hydroxypropylamino)-3-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide?
The InChIKey is OGKQFTBKAXEFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N6O4/c1-14(35)12-29-20-5-3-17(10-19(20)25(26,27)28)33-24(37)34-8-7-16-9-18(4-6-21(16)34)38-23-11-22(30-13-31-23)32-15(2)36/h3-6,9-11,13-14,29,35H,7-8,12H2,1-2H3,(H,33,37)(H,30,31,32,36).
What are the key properties of 5-(6-acetamidopyrimidin-4-yl)oxy-N-[4-(2-hydroxypropylamino)-3-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide?
5-(6-acetamidopyrimidin-4-yl)oxy-N-[4-(2-hydroxypropylamino)-3-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide has a molecular weight of 530.51 g/mol, XLogP of 4.63, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-acetamidopyrimidin-4-yl)oxy-N-[4-(2-hydroxypropylamino)-3-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 59596386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).