5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]indole-1-carboxamide

C22H19F3N6O3 — CID 59394146

IUPAC5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]indole-1-carboxamide
SMILESCNCc1cc(Oc2ccc3c(ccn3C(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c2)ncn1
InChIInChI=1S/C22H19F3N6O3/c1-26-11-14-9-19(28-12-27-14)33-15-2-3-16-13(8-15)4-7-31(16)20(32)29-18-10-17(34-30-18)21(5-6-21)22(23,24)25/h2-4,7-10,12,26H,5-6,11H2,1H3,(H,29,30,32)
InChIKeyYACVCKOZIBUZTD-UHFFFAOYSA-N
MW472.43 g/mol
LogP4.61
Rot. Bonds6

About 5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]indole-1-carboxamide

5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]indole-1-carboxamide (PubChem CID 59394146) has the molecular formula C22H19F3N6O3 and a molecular weight of 472.43 g/mol. Its IUPAC name is 5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]indole-1-carboxamide.

Molecular Properties

Compound Name5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]indole-1-carboxamide
PubChem CID59394146
Molecular FormulaC22H19F3N6O3
Molecular Weight472.43 g/mol
Exact Mass472.15
IUPAC Name5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]indole-1-carboxamide
SMILESCNCc1cc(Oc2ccc3c(ccn3C(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c2)ncn1
InChIInChI=1S/C22H19F3N6O3/c1-26-11-14-9-19(28-12-27-14)33-15-2-3-16-13(8-15)4-7-31(16)20(32)29-18-10-17(34-30-18)21(5-6-21)22(23,24)25/h2-4,7-10,12,26H,5-6,11H2,1H3,(H,29,30,32)
InChIKeyYACVCKOZIBUZTD-UHFFFAOYSA-N
XLogP4.61
TPSA107.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.43
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]indole-1-carboxamide?
The IUPAC name of 5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]indole-1-carboxamide (CID 59394146) is 5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]indole-1-carboxamide.
What is the SMILES notation for 5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]indole-1-carboxamide?
The canonical SMILES for 5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]indole-1-carboxamide is CNCc1cc(Oc2ccc3c(ccn3C(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c2)ncn1.
What is the InChIKey of 5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]indole-1-carboxamide?
The InChIKey is YACVCKOZIBUZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N6O3/c1-26-11-14-9-19(28-12-27-14)33-15-2-3-16-13(8-15)4-7-31(16)20(32)29-18-10-17(34-30-18)21(5-6-21)22(23,24)25/h2-4,7-10,12,26H,5-6,11H2,1H3,(H,29,30,32).
What are the key properties of 5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]indole-1-carboxamide?
5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]indole-1-carboxamide has a molecular weight of 472.43 g/mol, XLogP of 4.61, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]indole-1-carboxamide is sourced from PubChem (CID 59394146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).