5-(6-acetylpyrimidin-4-yl)oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide;ethane;5-(6-ethylpyrimidin-4-yl)oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide;bis(5-[6-(hydroxymethyl)pyrimidin-4-yl]oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide)

C82H74F12N24O11 — CID 162079541

IUPAC5-(6-acetylpyrimidin-4-yl)oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide;ethane;5-(6-ethylpyrimidin-4-yl)oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide;bis(5-[6-(hydroxymethyl)pyrimidin-4-yl]oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide)
SMILESCC.CC.CC(=O)c1cc(Oc2ccc3c(ccn3C(=O)Nc3cc(C(F)(F)F)n(C)n3)c2)ncn1.CCc1cc(Oc2ccc3c(ccn3C(=O)Nc3cc(C(F)(F)F)n(C)n3)c2)ncn1.Cn1nc(NC(=O)n2ccc3cc(Oc4cc(CO)ncn4)ccc32)cc1C(F)(F)F.Cn1nc(NC(=O)n2ccc3cc(Oc4cc(CO)ncn4)ccc32)cc1C(F)(F)F
InChIInChI=1S/C20H15F3N6O3.C20H17F3N6O2.2C19H15F3N6O3.2C2H6/c1-11(30)14-8-18(25-10-24-14)32-13-3-4-15-12(7-13)5-6-29(15)19(31)26-17-9-16(20(21,22)23)28(2)27-17;1-3-13-9-18(25-11-24-13)31-14-4-5-15-12(8-14)6-7-29(15)19(30)26-17-10-16(20(21,22)23)28(2)27-17;2*1-27-15(19(20,21)22)8-16(26-27)25-18(30)28-5-4-11-6-13(2-3-14(11)28)31-17-7-12(9-29)23-10-24-17;2*1-2/h3-10H,1-2H3,(H,26,27,31);4-11H,3H2,1-2H3,(H,26,27,30);2*2-8,10,29H,9H2,1H3,(H,25,26,30);2*1-2H3
InChIKeyZCDQDHYDUHJCOD-UHFFFAOYSA-N
MW1799.63 g/mol
LogP18.03
Rot. Bonds16

About 5-(6-acetylpyrimidin-4-yl)oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide;ethane;5-(6-ethylpyrimidin-4-yl)oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide;bis(5-[6-(hydroxymethyl)pyrimidin-4-yl]oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide)

5-(6-acetylpyrimidin-4-yl)oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide;ethane;5-(6-ethylpyrimidin-4-yl)oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide;bis(5-[6-(hydroxymethyl)pyrimidin-4-yl]oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide) (PubChem CID 162079541) has the molecular formula C82H74F12N24O11 and a molecular weight of 1799.63 g/mol. Its IUPAC name is 5-(6-acetylpyrimidin-4-yl)oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide;ethane;5-(6-ethylpyrimidin-4-yl)oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide;bis(5-[6-(hydroxymethyl)pyrimidin-4-yl]oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide).

Molecular Properties

Compound Name5-(6-acetylpyrimidin-4-yl)oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide;ethane;5-(6-ethylpyrimidin-4-yl)oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide;bis(5-[6-(hydroxymethyl)pyrimidin-4-yl]oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide)
PubChem CID162079541
Molecular FormulaC82H74F12N24O11
Molecular Weight1799.63 g/mol
Exact Mass1798.58
IUPAC Name5-(6-acetylpyrimidin-4-yl)oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide;ethane;5-(6-ethylpyrimidin-4-yl)oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide;bis(5-[6-(hydroxymethyl)pyrimidin-4-yl]oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide)
SMILESCC.CC.CC(=O)c1cc(Oc2ccc3c(ccn3C(=O)Nc3cc(C(F)(F)F)n(C)n3)c2)ncn1.CCc1cc(Oc2ccc3c(ccn3C(=O)Nc3cc(C(F)(F)F)n(C)n3)c2)ncn1.Cn1nc(NC(=O)n2ccc3cc(Oc4cc(CO)ncn4)ccc32)cc1C(F)(F)F.Cn1nc(NC(=O)n2ccc3cc(Oc4cc(CO)ncn4)ccc32)cc1C(F)(F)F
InChIInChI=1S/C20H15F3N6O3.C20H17F3N6O2.2C19H15F3N6O3.2C2H6/c1-11(30)14-8-18(25-10-24-14)32-13-3-4-15-12(7-13)5-6-29(15)19(31)26-17-9-16(20(21,22)23)28(2)27-17;1-3-13-9-18(25-11-24-13)31-14-4-5-15-12(8-14)6-7-29(15)19(30)26-17-10-16(20(21,22)23)28(2)27-17;2*1-27-15(19(20,21)22)8-16(26-27)25-18(30)28-5-4-11-6-13(2-3-14(11)28)31-17-7-12(9-29)23-10-24-17;2*1-2/h3-10H,1-2H3,(H,26,27,31);4-11H,3H2,1-2H3,(H,26,27,30);2*2-8,10,29H,9H2,1H3,(H,25,26,30);2*1-2H3
InChIKeyZCDQDHYDUHJCOD-UHFFFAOYSA-N
XLogP18.03
TPSA404.97 Ų
H-Bond Donors6
H-Bond Acceptors31
Rotatable Bonds16
Heavy Atoms129
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001799.63
LogP ≤ 518.03
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1031

Analyze 5-(6-acetylpyrimidin-4-yl)oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide;ethane;5-(6-ethylpyrimidin-4-yl)oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide;bis(5-[6-(hydroxymethyl)pyrimidin-4-yl]oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide) with MolForge

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Related Compounds

6-[1-[[1-Methyl-5-(trifluoromethyl)pyrazol-3-yl]carbamoyl]indol-5-yl]oxypyrimidine-4-carboxylic acid
CID 117711405
5-(6-acetylpyrimidin-4-yl)oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide
CID 121296833
5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]indole-1-carboxamide;5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide
CID 137374910
5-(6-acetylpyrimidin-4-yl)oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide;dimethyl-[[6-[1-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]carbamoyl]indol-5-yl]oxypyrimidin-4-yl]methylidene]azanium;dimethyl-[[6-[1-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamoyl]indol-5-yl]oxypyrimidin-4-yl]methylidene]azanium;ethane;5-[[6-[[hydroxy(methyl)amino]methylidene]-1H-pyrimidin-4-yl]oxy]-N-[5-(trifluoromethyl)pyrazol-3-ylidene]indole-1-carboxamide;5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]indole-1-carboxamide
CID 157313118
5-[2-(azetidin-1-yl)ethoxy]-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[4-(dimethylamino)-3-hydroxy-4-oxobut-1-ynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-methoxypyrazolo[3,4-d]pyrimidine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(2-morpholin-4-ylethoxy)indazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(trifluoromethyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide
CID 158090727
5-[2-(azetidin-1-yl)ethoxy]-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;6-cyclopropyl-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[3,4-d]pyrimidine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-methoxypyrazolo[3,4-d]pyrimidine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-methylpyrazolo[3,4-d]pyrimidine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(trifluoromethyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide
CID 158917052
5-(6-acetylpyrimidin-4-yl)oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide;ethane;tris(5-[6-(hydroxymethyl)pyrimidin-4-yl]oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide)
CID 158999652
2-[3-acetyl-5-(pyrimidin-2-ylmethoxy)indazol-1-yl]acetic acid;1-[(1R,3S,5R)-2-[2-[3-acetyl-5-(pyrimidin-2-ylmethoxy)indazol-1-yl]acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-2-(2,2-difluorocyclohexyl)ethanone;1-[(1R,3S,5R)-2-[2-[3-acetyl-5-(pyrimidin-2-ylmethoxy)indazol-1-yl]acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-2-(2-fluorocyclohex-2-en-1-yl)ethanone;1-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-2-(2-fluorocyclohex-2-en-1-yl)ethanone;hydrochloride
CID 159511659
5-(6-acetylpyrimidin-4-yl)oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide;dimethyl-[[6-[1-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]carbamoyl]indol-5-yl]oxypyrimidin-4-yl]methylidene]azanium;5-(6-ethylpyrimidin-4-yl)oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide;methane
CID 160177691
dimethyl-[[6-[1-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]carbamoyl]indol-5-yl]oxypyrimidin-4-yl]methylidene]azanium;dimethyl-[[6-[1-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamoyl]indol-5-yl]oxypyrimidin-4-yl]methylidene]azanium;ethane;5-[[6-[[hydroxy(methyl)amino]methylidene]-1H-pyrimidin-4-yl]oxy]-N-[5-(trifluoromethyl)pyrazol-3-ylidene]indole-1-carboxamide;5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]indole-1-carboxamide
CID 160709378
5-[6-(aminomethyl)pyrimidin-4-yl]oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide;5-(6-carbamoylpyrimidin-4-yl)oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide;N-methyl-1-[6-[1-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]carbamoyl]indol-5-yl]oxypyrimidin-4-yl]methanimine oxide
CID 161866349
5-(6-acetylpyrimidin-4-yl)oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide;ethane;5-(6-ethylpyrimidin-4-yl)oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide;bis(5-[6-(methyliminomethyl)pyrimidin-4-yl]oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide)
CID 161876371

Frequently Asked Questions

What is the IUPAC name of 5-(6-acetylpyrimidin-4-yl)oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide;ethane;5-(6-ethylpyrimidin-4-yl)oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide;bis(5-[6-(hydroxymethyl)pyrimidin-4-yl]oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide)?
The IUPAC name of 5-(6-acetylpyrimidin-4-yl)oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide;ethane;5-(6-ethylpyrimidin-4-yl)oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide;bis(5-[6-(hydroxymethyl)pyrimidin-4-yl]oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide) (CID 162079541) is 5-(6-acetylpyrimidin-4-yl)oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide;ethane;5-(6-ethylpyrimidin-4-yl)oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide;bis(5-[6-(hydroxymethyl)pyrimidin-4-yl]oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide).
What is the SMILES notation for 5-(6-acetylpyrimidin-4-yl)oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide;ethane;5-(6-ethylpyrimidin-4-yl)oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide;bis(5-[6-(hydroxymethyl)pyrimidin-4-yl]oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide)?
The canonical SMILES for 5-(6-acetylpyrimidin-4-yl)oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide;ethane;5-(6-ethylpyrimidin-4-yl)oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide;bis(5-[6-(hydroxymethyl)pyrimidin-4-yl]oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide) is CC.CC.CC(=O)c1cc(Oc2ccc3c(ccn3C(=O)Nc3cc(C(F)(F)F)n(C)n3)c2)ncn1.CCc1cc(Oc2ccc3c(ccn3C(=O)Nc3cc(C(F)(F)F)n(C)n3)c2)ncn1.Cn1nc(NC(=O)n2ccc3cc(Oc4cc(CO)ncn4)ccc32)cc1C(F)(F)F.Cn1nc(NC(=O)n2ccc3cc(Oc4cc(CO)ncn4)ccc32)cc1C(F)(F)F.
What is the InChIKey of 5-(6-acetylpyrimidin-4-yl)oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide;ethane;5-(6-ethylpyrimidin-4-yl)oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide;bis(5-[6-(hydroxymethyl)pyrimidin-4-yl]oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide)?
The InChIKey is ZCDQDHYDUHJCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N6O3.C20H17F3N6O2.2C19H15F3N6O3.2C2H6/c1-11(30)14-8-18(25-10-24-14)32-13-3-4-15-12(7-13)5-6-29(15)19(31)26-17-9-16(20(21,22)23)28(2)27-17;1-3-13-9-18(25-11-24-13)31-14-4-5-15-12(8-14)6-7-29(15)19(30)26-17-10-16(20(21,22)23)28(2)27-17;2*1-27-15(19(20,21)22)8-16(26-27)25-18(30)28-5-4-11-6-13(2-3-14(11)28)31-17-7-12(9-29)23-10-24-17;2*1-2/h3-10H,1-2H3,(H,26,27,31);4-11H,3H2,1-2H3,(H,26,27,30);2*2-8,10,29H,9H2,1H3,(H,25,26,30);2*1-2H3.
What are the key properties of 5-(6-acetylpyrimidin-4-yl)oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide;ethane;5-(6-ethylpyrimidin-4-yl)oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide;bis(5-[6-(hydroxymethyl)pyrimidin-4-yl]oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide)?
5-(6-acetylpyrimidin-4-yl)oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide;ethane;5-(6-ethylpyrimidin-4-yl)oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide;bis(5-[6-(hydroxymethyl)pyrimidin-4-yl]oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide) has a molecular weight of 1799.63 g/mol, XLogP of 18.03, 16 rotatable bonds, 6 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-acetylpyrimidin-4-yl)oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide;ethane;5-(6-ethylpyrimidin-4-yl)oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide;bis(5-[6-(hydroxymethyl)pyrimidin-4-yl]oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide) is sourced from PubChem (CID 162079541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).