5-[7-(dimethylamino)quinazolin-4-yl]oxy-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazole-1-carboxamide;1-[4-[7-(4-ethylpiperazin-1-yl)quinazolin-4-yl]oxyphenyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea;1-[4-[7-(4-hydroxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea;1-[4-[7-[3-hydroxypropyl(methyl)amino]quinazolin-4-yl]oxyphenyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea

C106H98F12N26O10 — CID 165031494

IUPAC5-[7-(dimethylamino)quinazolin-4-yl]oxy-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazole-1-carboxamide;1-[4-[7-(4-ethylpiperazin-1-yl)quinazolin-4-yl]oxyphenyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea;1-[4-[7-(4-hydroxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea;1-[4-[7-[3-hydroxypropyl(methyl)amino]quinazolin-4-yl]oxyphenyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea
SMILESCCN1CCN(c2ccc3c(Oc4ccc(NC(=O)NCc5ccc(C(F)(F)F)nc5)cc4)ncnc3c2)CC1.CN(C)c1ccc2c(Oc3ccc4c(cnn4C(=O)NCc4ccc(C(F)(F)F)nc4)c3)ncnc2c1.CN(CCCO)c1ccc2c(Oc3ccc(NC(=O)NCc4ccc(C(F)(F)F)nc4)cc3)ncnc2c1.O=C(NCc1ccc(C(F)(F)F)nc1)Nc1ccc(Oc2ncnc3cc(N4CCC(O)CC4)ccc23)cc1
InChIInChI=1S/C28H28F3N7O2.C27H25F3N6O3.C26H25F3N6O3.C25H20F3N7O2/c1-2-37-11-13-38(14-12-37)21-6-9-23-24(15-21)34-18-35-26(23)40-22-7-4-20(5-8-22)36-27(39)33-17-19-3-10-25(32-16-19)28(29,30)31;28-27(29,30)24-8-1-17(14-31-24)15-32-26(38)35-18-2-5-21(6-3-18)39-25-22-7-4-19(13-23(22)33-16-34-25)36-11-9-20(37)10-12-36;1-35(11-2-12-36)19-6-9-21-22(13-19)32-16-33-24(21)38-20-7-4-18(5-8-20)34-25(37)31-15-17-3-10-23(30-14-17)26(27,28)29;1-34(2)17-4-6-19-20(10-17)31-14-32-23(19)37-18-5-7-21-16(9-18)13-33-35(21)24(36)30-12-15-3-8-22(29-11-15)25(26,27)28/h3-10,15-16,18H,2,11-14,17H2,1H3,(H2,33,36,39);1-8,13-14,16,20,37H,9-12,15H2,(H2,32,35,38);3-10,13-14,16,36H,2,11-12,15H2,1H3,(H2,31,34,37);3-11,13-14H,12H2,1-2H3,(H,30,36)
InChIKeyMSMPKGXFWQDIAQ-UHFFFAOYSA-N
MW2124.10 g/mol
LogP20.40
Rot. Bonds27

About 5-[7-(dimethylamino)quinazolin-4-yl]oxy-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazole-1-carboxamide;1-[4-[7-(4-ethylpiperazin-1-yl)quinazolin-4-yl]oxyphenyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea;1-[4-[7-(4-hydroxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea;1-[4-[7-[3-hydroxypropyl(methyl)amino]quinazolin-4-yl]oxyphenyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea

5-[7-(dimethylamino)quinazolin-4-yl]oxy-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazole-1-carboxamide;1-[4-[7-(4-ethylpiperazin-1-yl)quinazolin-4-yl]oxyphenyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea;1-[4-[7-(4-hydroxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea;1-[4-[7-[3-hydroxypropyl(methyl)amino]quinazolin-4-yl]oxyphenyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea (PubChem CID 165031494) has the molecular formula C106H98F12N26O10 and a molecular weight of 2124.10 g/mol. Its IUPAC name is 5-[7-(dimethylamino)quinazolin-4-yl]oxy-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazole-1-carboxamide;1-[4-[7-(4-ethylpiperazin-1-yl)quinazolin-4-yl]oxyphenyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea;1-[4-[7-(4-hydroxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea;1-[4-[7-[3-hydroxypropyl(methyl)amino]quinazolin-4-yl]oxyphenyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea.

Molecular Properties

Compound Name5-[7-(dimethylamino)quinazolin-4-yl]oxy-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazole-1-carboxamide;1-[4-[7-(4-ethylpiperazin-1-yl)quinazolin-4-yl]oxyphenyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea;1-[4-[7-(4-hydroxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea;1-[4-[7-[3-hydroxypropyl(methyl)amino]quinazolin-4-yl]oxyphenyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea
PubChem CID165031494
Molecular FormulaC106H98F12N26O10
Molecular Weight2124.10 g/mol
Exact Mass2122.78
IUPAC Name5-[7-(dimethylamino)quinazolin-4-yl]oxy-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazole-1-carboxamide;1-[4-[7-(4-ethylpiperazin-1-yl)quinazolin-4-yl]oxyphenyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea;1-[4-[7-(4-hydroxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea;1-[4-[7-[3-hydroxypropyl(methyl)amino]quinazolin-4-yl]oxyphenyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea
SMILESCCN1CCN(c2ccc3c(Oc4ccc(NC(=O)NCc5ccc(C(F)(F)F)nc5)cc4)ncnc3c2)CC1.CN(C)c1ccc2c(Oc3ccc4c(cnn4C(=O)NCc4ccc(C(F)(F)F)nc4)c3)ncnc2c1.CN(CCCO)c1ccc2c(Oc3ccc(NC(=O)NCc4ccc(C(F)(F)F)nc4)cc3)ncnc2c1.O=C(NCc1ccc(C(F)(F)F)nc1)Nc1ccc(Oc2ncnc3cc(N4CCC(O)CC4)ccc23)cc1
InChIInChI=1S/C28H28F3N7O2.C27H25F3N6O3.C26H25F3N6O3.C25H20F3N7O2/c1-2-37-11-13-38(14-12-37)21-6-9-23-24(15-21)34-18-35-26(23)40-22-7-4-20(5-8-22)36-27(39)33-17-19-3-10-25(32-16-19)28(29,30)31;28-27(29,30)24-8-1-17(14-31-24)15-32-26(38)35-18-2-5-21(6-3-18)39-25-22-7-4-19(13-23(22)33-16-34-25)36-11-9-20(37)10-12-36;1-35(11-2-12-36)19-6-9-21-22(13-19)32-16-33-24(21)38-20-7-4-18(5-8-20)34-25(37)31-15-17-3-10-23(30-14-17)26(27,28)29;1-34(2)17-4-6-19-20(10-17)31-14-32-23(19)37-18-5-7-21-16(9-18)13-33-35(21)24(36)30-12-15-3-8-22(29-11-15)25(26,27)28/h3-10,15-16,18H,2,11-14,17H2,1H3,(H2,33,36,39);1-8,13-14,16,20,37H,9-12,15H2,(H2,32,35,38);3-10,13-14,16,36H,2,11-12,15H2,1H3,(H2,31,34,37);3-11,13-14H,12H2,1-2H3,(H,30,36)
InChIKeyMSMPKGXFWQDIAQ-UHFFFAOYSA-N
XLogP20.40
TPSA418.57 Ų
H-Bond Donors9
H-Bond Acceptors29
Rotatable Bonds27
Heavy Atoms154
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002124.10
LogP ≤ 520.40
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1029

Analyze 5-[7-(dimethylamino)quinazolin-4-yl]oxy-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazole-1-carboxamide;1-[4-[7-(4-ethylpiperazin-1-yl)quinazolin-4-yl]oxyphenyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea;1-[4-[7-(4-hydroxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea;1-[4-[7-[3-hydroxypropyl(methyl)amino]quinazolin-4-yl]oxyphenyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[7-(dimethylamino)quinazolin-4-yl]oxy-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazole-1-carboxamide;1-[4-[7-(4-ethylpiperazin-1-yl)quinazolin-4-yl]oxyphenyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea;1-[4-[7-(4-hydroxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea;1-[4-[7-[3-hydroxypropyl(methyl)amino]quinazolin-4-yl]oxyphenyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea?
The IUPAC name of 5-[7-(dimethylamino)quinazolin-4-yl]oxy-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazole-1-carboxamide;1-[4-[7-(4-ethylpiperazin-1-yl)quinazolin-4-yl]oxyphenyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea;1-[4-[7-(4-hydroxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea;1-[4-[7-[3-hydroxypropyl(methyl)amino]quinazolin-4-yl]oxyphenyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea (CID 165031494) is 5-[7-(dimethylamino)quinazolin-4-yl]oxy-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazole-1-carboxamide;1-[4-[7-(4-ethylpiperazin-1-yl)quinazolin-4-yl]oxyphenyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea;1-[4-[7-(4-hydroxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea;1-[4-[7-[3-hydroxypropyl(methyl)amino]quinazolin-4-yl]oxyphenyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea.
What is the SMILES notation for 5-[7-(dimethylamino)quinazolin-4-yl]oxy-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazole-1-carboxamide;1-[4-[7-(4-ethylpiperazin-1-yl)quinazolin-4-yl]oxyphenyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea;1-[4-[7-(4-hydroxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea;1-[4-[7-[3-hydroxypropyl(methyl)amino]quinazolin-4-yl]oxyphenyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea?
The canonical SMILES for 5-[7-(dimethylamino)quinazolin-4-yl]oxy-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazole-1-carboxamide;1-[4-[7-(4-ethylpiperazin-1-yl)quinazolin-4-yl]oxyphenyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea;1-[4-[7-(4-hydroxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea;1-[4-[7-[3-hydroxypropyl(methyl)amino]quinazolin-4-yl]oxyphenyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea is CCN1CCN(c2ccc3c(Oc4ccc(NC(=O)NCc5ccc(C(F)(F)F)nc5)cc4)ncnc3c2)CC1.CN(C)c1ccc2c(Oc3ccc4c(cnn4C(=O)NCc4ccc(C(F)(F)F)nc4)c3)ncnc2c1.CN(CCCO)c1ccc2c(Oc3ccc(NC(=O)NCc4ccc(C(F)(F)F)nc4)cc3)ncnc2c1.O=C(NCc1ccc(C(F)(F)F)nc1)Nc1ccc(Oc2ncnc3cc(N4CCC(O)CC4)ccc23)cc1.
What is the InChIKey of 5-[7-(dimethylamino)quinazolin-4-yl]oxy-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazole-1-carboxamide;1-[4-[7-(4-ethylpiperazin-1-yl)quinazolin-4-yl]oxyphenyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea;1-[4-[7-(4-hydroxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea;1-[4-[7-[3-hydroxypropyl(methyl)amino]quinazolin-4-yl]oxyphenyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea?
The InChIKey is MSMPKGXFWQDIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28F3N7O2.C27H25F3N6O3.C26H25F3N6O3.C25H20F3N7O2/c1-2-37-11-13-38(14-12-37)21-6-9-23-24(15-21)34-18-35-26(23)40-22-7-4-20(5-8-22)36-27(39)33-17-19-3-10-25(32-16-19)28(29,30)31;28-27(29,30)24-8-1-17(14-31-24)15-32-26(38)35-18-2-5-21(6-3-18)39-25-22-7-4-19(13-23(22)33-16-34-25)36-11-9-20(37)10-12-36;1-35(11-2-12-36)19-6-9-21-22(13-19)32-16-33-24(21)38-20-7-4-18(5-8-20)34-25(37)31-15-17-3-10-23(30-14-17)26(27,28)29;1-34(2)17-4-6-19-20(10-17)31-14-32-23(19)37-18-5-7-21-16(9-18)13-33-35(21)24(36)30-12-15-3-8-22(29-11-15)25(26,27)28/h3-10,15-16,18H,2,11-14,17H2,1H3,(H2,33,36,39);1-8,13-14,16,20,37H,9-12,15H2,(H2,32,35,38);3-10,13-14,16,36H,2,11-12,15H2,1H3,(H2,31,34,37);3-11,13-14H,12H2,1-2H3,(H,30,36).
What are the key properties of 5-[7-(dimethylamino)quinazolin-4-yl]oxy-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazole-1-carboxamide;1-[4-[7-(4-ethylpiperazin-1-yl)quinazolin-4-yl]oxyphenyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea;1-[4-[7-(4-hydroxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea;1-[4-[7-[3-hydroxypropyl(methyl)amino]quinazolin-4-yl]oxyphenyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea?
5-[7-(dimethylamino)quinazolin-4-yl]oxy-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazole-1-carboxamide;1-[4-[7-(4-ethylpiperazin-1-yl)quinazolin-4-yl]oxyphenyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea;1-[4-[7-(4-hydroxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea;1-[4-[7-[3-hydroxypropyl(methyl)amino]quinazolin-4-yl]oxyphenyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea has a molecular weight of 2124.10 g/mol, XLogP of 20.40, 27 rotatable bonds, 9 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-(dimethylamino)quinazolin-4-yl]oxy-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazole-1-carboxamide;1-[4-[7-(4-ethylpiperazin-1-yl)quinazolin-4-yl]oxyphenyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea;1-[4-[7-(4-hydroxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea;1-[4-[7-[3-hydroxypropyl(methyl)amino]quinazolin-4-yl]oxyphenyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea is sourced from PubChem (CID 165031494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).