5-[6-(2-amino-2-oxoethyl)pyrimidin-4-yl]oxy-N-[4-[(4-cyclopropylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]indole-1-carboxamide;5-[6-(2-amino-2-oxoethyl)pyrimidin-4-yl]oxy-N-[4-(diethylamino)-3-(trifluoromethyl)phenyl]indole-1-carboxamide;5-[6-(2-amino-2-oxoethyl)pyrimidin-4-yl]oxy-N-[4-(1-methylpiperidin-4-yl)oxy-3-(trifluoromethyl)phenyl]indole-1-carboxamide

C84H82F9N19O10 — CID 87434510

IUPAC5-[6-(2-amino-2-oxoethyl)pyrimidin-4-yl]oxy-N-[4-[(4-cyclopropylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]indole-1-carboxamide;5-[6-(2-amino-2-oxoethyl)pyrimidin-4-yl]oxy-N-[4-(diethylamino)-3-(trifluoromethyl)phenyl]indole-1-carboxamide;5-[6-(2-amino-2-oxoethyl)pyrimidin-4-yl]oxy-N-[4-(1-methylpiperidin-4-yl)oxy-3-(trifluoromethyl)phenyl]indole-1-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)n2ccc3cc(Oc4cc(CC(N)=O)ncn4)ccc32)cc1C(F)(F)F.CN1CCC(Oc2ccc(NC(=O)n3ccc4cc(Oc5cc(CC(N)=O)ncn5)ccc43)cc2C(F)(F)F)CC1.NC(=O)Cc1cc(Oc2ccc3c(ccn3C(=O)Nc3ccc(CN4CCN(C5CC5)CC4)c(C(F)(F)F)c3)c2)ncn1
InChIInChI=1S/C30H30F3N7O3.C28H27F3N6O4.C26H25F3N6O3/c31-30(32,33)25-14-21(2-1-20(25)17-38-9-11-39(12-10-38)23-3-4-23)37-29(42)40-8-7-19-13-24(5-6-26(19)40)43-28-16-22(15-27(34)41)35-18-36-28;1-36-9-7-20(8-10-36)40-24-5-2-18(13-22(24)28(29,30)31)35-27(39)37-11-6-17-12-21(3-4-23(17)37)41-26-15-19(14-25(32)38)33-16-34-26;1-3-34(4-2)22-7-5-17(12-20(22)26(27,28)29)33-25(37)35-10-9-16-11-19(6-8-21(16)35)38-24-14-18(13-23(30)36)31-15-32-24/h1-2,5-8,13-14,16,18,23H,3-4,9-12,15,17H2,(H2,34,41)(H,37,42);2-6,11-13,15-16,20H,7-10,14H2,1H3,(H2,32,38)(H,35,39);5-12,14-15H,3-4,13H2,1-2H3,(H2,30,36)(H,33,37)
InChIKeySZJKQCYHEAJOBX-UHFFFAOYSA-N
MW1688.68 g/mol
LogP14.65
Rot. Bonds23

About 5-[6-(2-amino-2-oxoethyl)pyrimidin-4-yl]oxy-N-[4-[(4-cyclopropylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]indole-1-carboxamide;5-[6-(2-amino-2-oxoethyl)pyrimidin-4-yl]oxy-N-[4-(diethylamino)-3-(trifluoromethyl)phenyl]indole-1-carboxamide;5-[6-(2-amino-2-oxoethyl)pyrimidin-4-yl]oxy-N-[4-(1-methylpiperidin-4-yl)oxy-3-(trifluoromethyl)phenyl]indole-1-carboxamide

5-[6-(2-amino-2-oxoethyl)pyrimidin-4-yl]oxy-N-[4-[(4-cyclopropylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]indole-1-carboxamide;5-[6-(2-amino-2-oxoethyl)pyrimidin-4-yl]oxy-N-[4-(diethylamino)-3-(trifluoromethyl)phenyl]indole-1-carboxamide;5-[6-(2-amino-2-oxoethyl)pyrimidin-4-yl]oxy-N-[4-(1-methylpiperidin-4-yl)oxy-3-(trifluoromethyl)phenyl]indole-1-carboxamide (PubChem CID 87434510) has the molecular formula C84H82F9N19O10 and a molecular weight of 1688.68 g/mol. Its IUPAC name is 5-[6-(2-amino-2-oxoethyl)pyrimidin-4-yl]oxy-N-[4-[(4-cyclopropylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]indole-1-carboxamide;5-[6-(2-amino-2-oxoethyl)pyrimidin-4-yl]oxy-N-[4-(diethylamino)-3-(trifluoromethyl)phenyl]indole-1-carboxamide;5-[6-(2-amino-2-oxoethyl)pyrimidin-4-yl]oxy-N-[4-(1-methylpiperidin-4-yl)oxy-3-(trifluoromethyl)phenyl]indole-1-carboxamide.

Molecular Properties

Compound Name5-[6-(2-amino-2-oxoethyl)pyrimidin-4-yl]oxy-N-[4-[(4-cyclopropylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]indole-1-carboxamide;5-[6-(2-amino-2-oxoethyl)pyrimidin-4-yl]oxy-N-[4-(diethylamino)-3-(trifluoromethyl)phenyl]indole-1-carboxamide;5-[6-(2-amino-2-oxoethyl)pyrimidin-4-yl]oxy-N-[4-(1-methylpiperidin-4-yl)oxy-3-(trifluoromethyl)phenyl]indole-1-carboxamide
PubChem CID87434510
Molecular FormulaC84H82F9N19O10
Molecular Weight1688.68 g/mol
Exact Mass1687.63
IUPAC Name5-[6-(2-amino-2-oxoethyl)pyrimidin-4-yl]oxy-N-[4-[(4-cyclopropylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]indole-1-carboxamide;5-[6-(2-amino-2-oxoethyl)pyrimidin-4-yl]oxy-N-[4-(diethylamino)-3-(trifluoromethyl)phenyl]indole-1-carboxamide;5-[6-(2-amino-2-oxoethyl)pyrimidin-4-yl]oxy-N-[4-(1-methylpiperidin-4-yl)oxy-3-(trifluoromethyl)phenyl]indole-1-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)n2ccc3cc(Oc4cc(CC(N)=O)ncn4)ccc32)cc1C(F)(F)F.CN1CCC(Oc2ccc(NC(=O)n3ccc4cc(Oc5cc(CC(N)=O)ncn5)ccc43)cc2C(F)(F)F)CC1.NC(=O)Cc1cc(Oc2ccc3c(ccn3C(=O)Nc3ccc(CN4CCN(C5CC5)CC4)c(C(F)(F)F)c3)c2)ncn1
InChIInChI=1S/C30H30F3N7O3.C28H27F3N6O4.C26H25F3N6O3/c31-30(32,33)25-14-21(2-1-20(25)17-38-9-11-39(12-10-38)23-3-4-23)37-29(42)40-8-7-19-13-24(5-6-26(19)40)43-28-16-22(15-27(34)41)35-18-36-28;1-36-9-7-20(8-10-36)40-24-5-2-18(13-22(24)28(29,30)31)35-27(39)37-11-6-17-12-21(3-4-23(17)37)41-26-15-19(14-25(32)38)33-16-34-26;1-3-34(4-2)22-7-5-17(12-20(22)26(27,28)29)33-25(37)35-10-9-16-11-19(6-8-21(16)35)38-24-14-18(13-23(30)36)31-15-32-24/h1-2,5-8,13-14,16,18,23H,3-4,9-12,15,17H2,(H2,34,41)(H,37,42);2-6,11-13,15-16,20H,7-10,14H2,1H3,(H2,32,38)(H,35,39);5-12,14-15H,3-4,13H2,1-2H3,(H2,30,36)(H,33,37)
InChIKeySZJKQCYHEAJOBX-UHFFFAOYSA-N
XLogP14.65
TPSA358.58 Ų
H-Bond Donors6
H-Bond Acceptors23
Rotatable Bonds23
Heavy Atoms122
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001688.68
LogP ≤ 514.65
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 5-[6-(2-amino-2-oxoethyl)pyrimidin-4-yl]oxy-N-[4-[(4-cyclopropylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]indole-1-carboxamide;5-[6-(2-amino-2-oxoethyl)pyrimidin-4-yl]oxy-N-[4-(diethylamino)-3-(trifluoromethyl)phenyl]indole-1-carboxamide;5-[6-(2-amino-2-oxoethyl)pyrimidin-4-yl]oxy-N-[4-(1-methylpiperidin-4-yl)oxy-3-(trifluoromethyl)phenyl]indole-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(2-amino-2-oxoethyl)pyrimidin-4-yl]oxy-N-[4-[(4-cyclopropylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]indole-1-carboxamide;5-[6-(2-amino-2-oxoethyl)pyrimidin-4-yl]oxy-N-[4-(diethylamino)-3-(trifluoromethyl)phenyl]indole-1-carboxamide;5-[6-(2-amino-2-oxoethyl)pyrimidin-4-yl]oxy-N-[4-(1-methylpiperidin-4-yl)oxy-3-(trifluoromethyl)phenyl]indole-1-carboxamide?
The IUPAC name of 5-[6-(2-amino-2-oxoethyl)pyrimidin-4-yl]oxy-N-[4-[(4-cyclopropylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]indole-1-carboxamide;5-[6-(2-amino-2-oxoethyl)pyrimidin-4-yl]oxy-N-[4-(diethylamino)-3-(trifluoromethyl)phenyl]indole-1-carboxamide;5-[6-(2-amino-2-oxoethyl)pyrimidin-4-yl]oxy-N-[4-(1-methylpiperidin-4-yl)oxy-3-(trifluoromethyl)phenyl]indole-1-carboxamide (CID 87434510) is 5-[6-(2-amino-2-oxoethyl)pyrimidin-4-yl]oxy-N-[4-[(4-cyclopropylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]indole-1-carboxamide;5-[6-(2-amino-2-oxoethyl)pyrimidin-4-yl]oxy-N-[4-(diethylamino)-3-(trifluoromethyl)phenyl]indole-1-carboxamide;5-[6-(2-amino-2-oxoethyl)pyrimidin-4-yl]oxy-N-[4-(1-methylpiperidin-4-yl)oxy-3-(trifluoromethyl)phenyl]indole-1-carboxamide.
What is the SMILES notation for 5-[6-(2-amino-2-oxoethyl)pyrimidin-4-yl]oxy-N-[4-[(4-cyclopropylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]indole-1-carboxamide;5-[6-(2-amino-2-oxoethyl)pyrimidin-4-yl]oxy-N-[4-(diethylamino)-3-(trifluoromethyl)phenyl]indole-1-carboxamide;5-[6-(2-amino-2-oxoethyl)pyrimidin-4-yl]oxy-N-[4-(1-methylpiperidin-4-yl)oxy-3-(trifluoromethyl)phenyl]indole-1-carboxamide?
The canonical SMILES for 5-[6-(2-amino-2-oxoethyl)pyrimidin-4-yl]oxy-N-[4-[(4-cyclopropylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]indole-1-carboxamide;5-[6-(2-amino-2-oxoethyl)pyrimidin-4-yl]oxy-N-[4-(diethylamino)-3-(trifluoromethyl)phenyl]indole-1-carboxamide;5-[6-(2-amino-2-oxoethyl)pyrimidin-4-yl]oxy-N-[4-(1-methylpiperidin-4-yl)oxy-3-(trifluoromethyl)phenyl]indole-1-carboxamide is CCN(CC)c1ccc(NC(=O)n2ccc3cc(Oc4cc(CC(N)=O)ncn4)ccc32)cc1C(F)(F)F.CN1CCC(Oc2ccc(NC(=O)n3ccc4cc(Oc5cc(CC(N)=O)ncn5)ccc43)cc2C(F)(F)F)CC1.NC(=O)Cc1cc(Oc2ccc3c(ccn3C(=O)Nc3ccc(CN4CCN(C5CC5)CC4)c(C(F)(F)F)c3)c2)ncn1.
What is the InChIKey of 5-[6-(2-amino-2-oxoethyl)pyrimidin-4-yl]oxy-N-[4-[(4-cyclopropylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]indole-1-carboxamide;5-[6-(2-amino-2-oxoethyl)pyrimidin-4-yl]oxy-N-[4-(diethylamino)-3-(trifluoromethyl)phenyl]indole-1-carboxamide;5-[6-(2-amino-2-oxoethyl)pyrimidin-4-yl]oxy-N-[4-(1-methylpiperidin-4-yl)oxy-3-(trifluoromethyl)phenyl]indole-1-carboxamide?
The InChIKey is SZJKQCYHEAJOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30F3N7O3.C28H27F3N6O4.C26H25F3N6O3/c31-30(32,33)25-14-21(2-1-20(25)17-38-9-11-39(12-10-38)23-3-4-23)37-29(42)40-8-7-19-13-24(5-6-26(19)40)43-28-16-22(15-27(34)41)35-18-36-28;1-36-9-7-20(8-10-36)40-24-5-2-18(13-22(24)28(29,30)31)35-27(39)37-11-6-17-12-21(3-4-23(17)37)41-26-15-19(14-25(32)38)33-16-34-26;1-3-34(4-2)22-7-5-17(12-20(22)26(27,28)29)33-25(37)35-10-9-16-11-19(6-8-21(16)35)38-24-14-18(13-23(30)36)31-15-32-24/h1-2,5-8,13-14,16,18,23H,3-4,9-12,15,17H2,(H2,34,41)(H,37,42);2-6,11-13,15-16,20H,7-10,14H2,1H3,(H2,32,38)(H,35,39);5-12,14-15H,3-4,13H2,1-2H3,(H2,30,36)(H,33,37).
What are the key properties of 5-[6-(2-amino-2-oxoethyl)pyrimidin-4-yl]oxy-N-[4-[(4-cyclopropylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]indole-1-carboxamide;5-[6-(2-amino-2-oxoethyl)pyrimidin-4-yl]oxy-N-[4-(diethylamino)-3-(trifluoromethyl)phenyl]indole-1-carboxamide;5-[6-(2-amino-2-oxoethyl)pyrimidin-4-yl]oxy-N-[4-(1-methylpiperidin-4-yl)oxy-3-(trifluoromethyl)phenyl]indole-1-carboxamide?
5-[6-(2-amino-2-oxoethyl)pyrimidin-4-yl]oxy-N-[4-[(4-cyclopropylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]indole-1-carboxamide;5-[6-(2-amino-2-oxoethyl)pyrimidin-4-yl]oxy-N-[4-(diethylamino)-3-(trifluoromethyl)phenyl]indole-1-carboxamide;5-[6-(2-amino-2-oxoethyl)pyrimidin-4-yl]oxy-N-[4-(1-methylpiperidin-4-yl)oxy-3-(trifluoromethyl)phenyl]indole-1-carboxamide has a molecular weight of 1688.68 g/mol, XLogP of 14.65, 23 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(2-amino-2-oxoethyl)pyrimidin-4-yl]oxy-N-[4-[(4-cyclopropylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]indole-1-carboxamide;5-[6-(2-amino-2-oxoethyl)pyrimidin-4-yl]oxy-N-[4-(diethylamino)-3-(trifluoromethyl)phenyl]indole-1-carboxamide;5-[6-(2-amino-2-oxoethyl)pyrimidin-4-yl]oxy-N-[4-(1-methylpiperidin-4-yl)oxy-3-(trifluoromethyl)phenyl]indole-1-carboxamide is sourced from PubChem (CID 87434510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).