5-(6-acetamidopyrimidin-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

C84H82F9N19O10 — CID 87780287

IUPAC5-(6-acetamidopyrimidin-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
SMILESCC(=O)Nc1cc(Oc2ccc3c(ccn3C(=O)Nc3ccc(OC4CCN(C)CC4)c(C(F)(F)F)c3)c2)ncn1.CCN(CC)c1ccc(NC(=O)n2ccc3cc(Oc4cc(CC(N)=O)ncn4)ccc32)cc1C(F)(F)F.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;1-17(38)34-25-15-26(33-16-32-25)41-21-4-5-23-18(13-21)7-12-37(23)27(39)35-19-3-6-24(22(14-19)28(29,30)31)40-20-8-10-36(2)11-9-20;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);3-7,12-16,20H,8-11H2,1-2H3,(H,35,39)(H,32,33,34,38);5-12,14-15H,3-4,13H2,1-2H3,(H2,30,36)(H,33,37)
InChIKeyIXWVUZWPPIECKX-UHFFFAOYSA-N
MW1688.68 g/mol
LogP15.58
Rot. Bonds22

About 5-(6-acetamidopyrimidin-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-acetamidopyrimidin-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 (PubChem CID 87780287) has the molecular formula C84H82F9N19O10 and a molecular weight of 1688.68 g/mol. Its IUPAC name is 5-(6-acetamidopyrimidin-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.

Molecular Properties

Compound Name5-(6-acetamidopyrimidin-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
PubChem CID87780287
Molecular FormulaC84H82F9N19O10
Molecular Weight1688.68 g/mol
Exact Mass1687.63
IUPAC Name5-(6-acetamidopyrimidin-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
SMILESCC(=O)Nc1cc(Oc2ccc3c(ccn3C(=O)Nc3ccc(OC4CCN(C)CC4)c(C(F)(F)F)c3)c2)ncn1.CCN(CC)c1ccc(NC(=O)n2ccc3cc(Oc4cc(CC(N)=O)ncn4)ccc32)cc1C(F)(F)F.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;1-17(38)34-25-15-26(33-16-32-25)41-21-4-5-23-18(13-21)7-12-37(23)27(39)35-19-3-6-24(22(14-19)28(29,30)31)40-20-8-10-36(2)11-9-20;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);3-7,12-16,20H,8-11H2,1-2H3,(H,35,39)(H,32,33,34,38);5-12,14-15H,3-4,13H2,1-2H3,(H2,30,36)(H,33,37)
InChIKeyIXWVUZWPPIECKX-UHFFFAOYSA-N
XLogP15.58
TPSA344.59 Ų
H-Bond Donors6
H-Bond Acceptors23
Rotatable Bonds22
Heavy Atoms122
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001688.68
LogP ≤ 515.58
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-acetamidopyrimidin-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(6-acetamidopyrimidin-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?
The IUPAC name of 5-(6-acetamidopyrimidin-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 (CID 87780287) is 5-(6-acetamidopyrimidin-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.
What is the SMILES notation for 5-(6-acetamidopyrimidin-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?
The canonical SMILES for 5-(6-acetamidopyrimidin-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 is CC(=O)Nc1cc(Oc2ccc3c(ccn3C(=O)Nc3ccc(OC4CCN(C)CC4)c(C(F)(F)F)c3)c2)ncn1.CCN(CC)c1ccc(NC(=O)n2ccc3cc(Oc4cc(CC(N)=O)ncn4)ccc32)cc1C(F)(F)F.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-acetamidopyrimidin-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?
The InChIKey is IXWVUZWPPIECKX-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;1-17(38)34-25-15-26(33-16-32-25)41-21-4-5-23-18(13-21)7-12-37(23)27(39)35-19-3-6-24(22(14-19)28(29,30)31)40-20-8-10-36(2)11-9-20;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);3-7,12-16,20H,8-11H2,1-2H3,(H,35,39)(H,32,33,34,38);5-12,14-15H,3-4,13H2,1-2H3,(H2,30,36)(H,33,37).
What are the key properties of 5-(6-acetamidopyrimidin-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-acetamidopyrimidin-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 has a molecular weight of 1688.68 g/mol, XLogP of 15.58, 22 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-acetamidopyrimidin-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 is sourced from PubChem (CID 87780287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).