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

C41H38F6N14O4 — CID 137374910

IUPAC5-[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
SMILESCNCc1cc(Oc2ccc3c(ccn3C(=O)Nc3cc(C(F)(F)F)n(C)n3)c2)ncn1.CNCc1cc(Oc2ccc3c(ccn3C(=O)Nc3cc(C)n(CC(F)(F)F)n3)c2)ncn1
InChIInChI=1S/C21H20F3N7O2.C20H18F3N7O2/c1-13-7-18(29-31(13)11-21(22,23)24)28-20(32)30-6-5-14-8-16(3-4-17(14)30)33-19-9-15(10-25-2)26-12-27-19;1-24-10-13-8-18(26-11-25-13)32-14-3-4-15-12(7-14)5-6-30(15)19(31)27-17-9-16(20(21,22)23)29(2)28-17/h3-9,12,25H,10-11H2,1-2H3,(H,28,29,32);3-9,11,24H,10H2,1-2H3,(H,27,28,31)
InChIKeyMRWHPIRPOFEJPD-UHFFFAOYSA-N
MW904.84 g/mol
LogP7.87
Rot. Bonds11

About 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

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 (PubChem CID 137374910) has the molecular formula C41H38F6N14O4 and a molecular weight of 904.84 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[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
PubChem CID137374910
Molecular FormulaC41H38F6N14O4
Molecular Weight904.84 g/mol
Exact Mass904.31
IUPAC Name5-[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
SMILESCNCc1cc(Oc2ccc3c(ccn3C(=O)Nc3cc(C(F)(F)F)n(C)n3)c2)ncn1.CNCc1cc(Oc2ccc3c(ccn3C(=O)Nc3cc(C)n(CC(F)(F)F)n3)c2)ncn1
InChIInChI=1S/C21H20F3N7O2.C20H18F3N7O2/c1-13-7-18(29-31(13)11-21(22,23)24)28-20(32)30-6-5-14-8-16(3-4-17(14)30)33-19-9-15(10-25-2)26-12-27-19;1-24-10-13-8-18(26-11-25-13)32-14-3-4-15-12(7-14)5-6-30(15)19(31)27-17-9-16(20(21,22)23)29(2)28-17/h3-9,12,25H,10-11H2,1-2H3,(H,28,29,32);3-9,11,24H,10H2,1-2H3,(H,27,28,31)
InChIKeyMRWHPIRPOFEJPD-UHFFFAOYSA-N
XLogP7.87
TPSA197.78 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds11
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500904.84
LogP ≤ 57.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CNCc1cc(Oc2ccc3c(ccn3C(=O)Nc3cc(C(F)(F)F)n(C)n3)c2)ncn1.CNCc1cc(Oc2ccc3c(ccn3C(=O)Nc3cc(C)n(CC(F)(F)F)n3)c2)ncn1.
What is the InChIKey of 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?
The InChIKey is MRWHPIRPOFEJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N7O2.C20H18F3N7O2/c1-13-7-18(29-31(13)11-21(22,23)24)28-20(32)30-6-5-14-8-16(3-4-17(14)30)33-19-9-15(10-25-2)26-12-27-19;1-24-10-13-8-18(26-11-25-13)32-14-3-4-15-12(7-14)5-6-30(15)19(31)27-17-9-16(20(21,22)23)29(2)28-17/h3-9,12,25H,10-11H2,1-2H3,(H,28,29,32);3-9,11,24H,10H2,1-2H3,(H,27,28,31).
What are the key properties of 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?
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 has a molecular weight of 904.84 g/mol, XLogP of 7.87, 11 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 137374910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).