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-piperazin-1-yl-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide

C56H54F6N14O6 — CID 87434012

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-piperazin-1-yl-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide
SMILESNC(=O)Cc1cc(Oc2ccc3c(ccn3C(=O)N(c3cccc(C(F)(F)F)c3)N3CCNCC3)c2)ncn1.NC(=O)Cc1cc(Oc2ccc3c(ccn3C(=O)Nc3ccc(CN4CCN(C5CC5)CC4)c(C(F)(F)F)c3)c2)ncn1
InChIInChI=1S/C30H30F3N7O3.C26H24F3N7O3/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;27-26(28,29)18-2-1-3-20(13-18)36(34-10-7-31-8-11-34)25(38)35-9-6-17-12-21(4-5-22(17)35)39-24-15-19(14-23(30)37)32-16-33-24/h1-2,5-8,13-14,16,18,23H,3-4,9-12,15,17H2,(H2,34,41)(H,37,42);1-6,9,12-13,15-16,31H,7-8,10-11,14H2,(H2,30,37)
InChIKeyGPVFUWHZUWVREB-UHFFFAOYSA-N
MW1133.13 g/mol
LogP8.20
Rot. Bonds14

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-piperazin-1-yl-N-[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-piperazin-1-yl-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide (PubChem CID 87434012) has the molecular formula C56H54F6N14O6 and a molecular weight of 1133.13 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-piperazin-1-yl-N-[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-piperazin-1-yl-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide
PubChem CID87434012
Molecular FormulaC56H54F6N14O6
Molecular Weight1133.13 g/mol
Exact Mass1132.43
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-piperazin-1-yl-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide
SMILESNC(=O)Cc1cc(Oc2ccc3c(ccn3C(=O)N(c3cccc(C(F)(F)F)c3)N3CCNCC3)c2)ncn1.NC(=O)Cc1cc(Oc2ccc3c(ccn3C(=O)Nc3ccc(CN4CCN(C5CC5)CC4)c(C(F)(F)F)c3)c2)ncn1
InChIInChI=1S/C30H30F3N7O3.C26H24F3N7O3/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;27-26(28,29)18-2-1-3-20(13-18)36(34-10-7-31-8-11-34)25(38)35-9-6-17-12-21(4-5-22(17)35)39-24-15-19(14-23(30)37)32-16-33-24/h1-2,5-8,13-14,16,18,23H,3-4,9-12,15,17H2,(H2,34,41)(H,37,42);1-6,9,12-13,15-16,31H,7-8,10-11,14H2,(H2,30,37)
InChIKeyGPVFUWHZUWVREB-UHFFFAOYSA-N
XLogP8.20
TPSA237.22 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds14
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001133.13
LogP ≤ 58.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

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-piperazin-1-yl-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-piperazin-1-yl-N-[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-piperazin-1-yl-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide (CID 87434012) 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-piperazin-1-yl-N-[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-piperazin-1-yl-N-[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-piperazin-1-yl-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide is NC(=O)Cc1cc(Oc2ccc3c(ccn3C(=O)N(c3cccc(C(F)(F)F)c3)N3CCNCC3)c2)ncn1.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-piperazin-1-yl-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide?
The InChIKey is GPVFUWHZUWVREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30F3N7O3.C26H24F3N7O3/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;27-26(28,29)18-2-1-3-20(13-18)36(34-10-7-31-8-11-34)25(38)35-9-6-17-12-21(4-5-22(17)35)39-24-15-19(14-23(30)37)32-16-33-24/h1-2,5-8,13-14,16,18,23H,3-4,9-12,15,17H2,(H2,34,41)(H,37,42);1-6,9,12-13,15-16,31H,7-8,10-11,14H2,(H2,30,37).
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-piperazin-1-yl-N-[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-piperazin-1-yl-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide has a molecular weight of 1133.13 g/mol, XLogP of 8.20, 14 rotatable bonds, 4 hydrogen bond donors, and 16 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-piperazin-1-yl-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide is sourced from PubChem (CID 87434012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).