[5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindol-1-yl] N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]carbamate

C22H19F3N6O4 — CID 129018224

IUPAC[5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindol-1-yl] N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]carbamate
SMILESCNCc1cc(Oc2ccc3c(ccn3OC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c2)ncn1
InChIInChI=1S/C22H19F3N6O4/c1-26-11-14-9-19(28-12-27-14)33-15-2-3-16-13(8-15)4-7-31(16)35-20(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)
InChIKeyKEXFOXPGXPAMNH-UHFFFAOYSA-N
MW488.43 g/mol
LogP4.19
Rot. Bonds7

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

[5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindol-1-yl] N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]carbamate (PubChem CID 129018224) has the molecular formula C22H19F3N6O4 and a molecular weight of 488.43 g/mol. Its IUPAC name is [5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindol-1-yl] N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]carbamate.

Molecular Properties

Compound Name[5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindol-1-yl] N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]carbamate
PubChem CID129018224
Molecular FormulaC22H19F3N6O4
Molecular Weight488.43 g/mol
Exact Mass488.14
IUPAC Name[5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindol-1-yl] N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]carbamate
SMILESCNCc1cc(Oc2ccc3c(ccn3OC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c2)ncn1
InChIInChI=1S/C22H19F3N6O4/c1-26-11-14-9-19(28-12-27-14)33-15-2-3-16-13(8-15)4-7-31(16)35-20(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)
InChIKeyKEXFOXPGXPAMNH-UHFFFAOYSA-N
XLogP4.19
TPSA116.33 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.43
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[1-methyl-5-[1-(trifluoromethyl)cyclopropyl]pyrazol-3-yl]indole-1-carboxamide
CID 59394079
[5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindol-1-yl] N-(1-methyl-5-propan-2-ylpyrazol-3-yl)carbamate
CID 129018180
[5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindol-1-yl] N-(1,5-dicyclopropylpyrazol-3-yl)carbamate
CID 129018205
N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindole-1-carboxamide
CID 46224242
[5-[6-(tetrazol-1-ylmethyl)pyrimidin-4-yl]oxyindol-1-yl] N-(5-cyclopropyl-1,2-oxazol-3-yl)carbamate
CID 129018251
5-[[(6S)-6-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]oxy]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]indole-1-carboxamide
CID 59394725
N-(1-tert-butylpyrazol-3-yl)-5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindole-1-carboxamide
CID 59394167
5-[[(6S)-7-(2-aminoacetyl)-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]indole-1-carboxamide
CID 59394450
N-[2-fluoro-3-(trifluoromethyl)phenyl]-5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindole-1-carboxamide
CID 59394627
N-[5-(1-methylcyclopropyl)-1,2-oxazol-3-yl]-5-[6-(tetrazol-1-ylmethyl)pyrimidin-4-yl]oxyindole-1-carboxamide
CID 59394662
[5-[6-[(dimethylamino)methyl]pyrimidin-4-yl]oxyindol-1-yl] N-(5-propan-2-yl-1H-pyrazol-3-yl)carbamate
CID 129018219
[5-[6-(phenylmethoxymethyl)pyrimidin-4-yl]oxyindol-1-yl] N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamate
CID 129018228

Frequently Asked Questions

What is the IUPAC name of [5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindol-1-yl] N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]carbamate?
The IUPAC name of [5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindol-1-yl] N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]carbamate (CID 129018224) is [5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindol-1-yl] N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]carbamate.
What is the SMILES notation for [5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindol-1-yl] N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]carbamate?
The canonical SMILES for [5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindol-1-yl] N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]carbamate is CNCc1cc(Oc2ccc3c(ccn3OC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c2)ncn1.
What is the InChIKey of [5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindol-1-yl] N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]carbamate?
The InChIKey is KEXFOXPGXPAMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N6O4/c1-26-11-14-9-19(28-12-27-14)33-15-2-3-16-13(8-15)4-7-31(16)35-20(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]oxyindol-1-yl] N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]carbamate?
[5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindol-1-yl] N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]carbamate has a molecular weight of 488.43 g/mol, XLogP of 4.19, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindol-1-yl] N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]carbamate is sourced from PubChem (CID 129018224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).