4-[1-[(2-cyclopropylpyrimidin-4-yl)methyl]piperidin-4-yl]oxy-1-(2,2,2-trifluoroethyl)indole

C23H25F3N4O — CID 126952593

IUPAC4-[1-[(2-cyclopropylpyrimidin-4-yl)methyl]piperidin-4-yl]oxy-1-(2,2,2-trifluoroethyl)indole
SMILESFC(F)(F)Cn1ccc2c(OC3CCN(Cc4ccnc(C5CC5)n4)CC3)cccc21
InChIInChI=1S/C23H25F3N4O/c24-23(25,26)15-30-13-9-19-20(30)2-1-3-21(19)31-18-7-11-29(12-8-18)14-17-6-10-27-22(28-17)16-4-5-16/h1-3,6,9-10,13,16,18H,4-5,7-8,11-12,14-15H2
InChIKeyHVHMCWMJYARPSR-UHFFFAOYSA-N
MW430.47 g/mol
LogP4.91
Rot. Bonds6

About 4-[1-[(2-cyclopropylpyrimidin-4-yl)methyl]piperidin-4-yl]oxy-1-(2,2,2-trifluoroethyl)indole

4-[1-[(2-cyclopropylpyrimidin-4-yl)methyl]piperidin-4-yl]oxy-1-(2,2,2-trifluoroethyl)indole (PubChem CID 126952593) has the molecular formula C23H25F3N4O and a molecular weight of 430.47 g/mol. Its IUPAC name is 4-[1-[(2-cyclopropylpyrimidin-4-yl)methyl]piperidin-4-yl]oxy-1-(2,2,2-trifluoroethyl)indole.

Molecular Properties

Compound Name4-[1-[(2-cyclopropylpyrimidin-4-yl)methyl]piperidin-4-yl]oxy-1-(2,2,2-trifluoroethyl)indole
PubChem CID126952593
Molecular FormulaC23H25F3N4O
Molecular Weight430.47 g/mol
Exact Mass430.20
IUPAC Name4-[1-[(2-cyclopropylpyrimidin-4-yl)methyl]piperidin-4-yl]oxy-1-(2,2,2-trifluoroethyl)indole
SMILESFC(F)(F)Cn1ccc2c(OC3CCN(Cc4ccnc(C5CC5)n4)CC3)cccc21
InChIInChI=1S/C23H25F3N4O/c24-23(25,26)15-30-13-9-19-20(30)2-1-3-21(19)31-18-7-11-29(12-8-18)14-17-6-10-27-22(28-17)16-4-5-16/h1-3,6,9-10,13,16,18H,4-5,7-8,11-12,14-15H2
InChIKeyHVHMCWMJYARPSR-UHFFFAOYSA-N
XLogP4.91
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.47
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[1-[(2-cyclopropylpyrimidin-4-yl)methyl]piperidin-4-yl]oxy-1-(2,2,2-trifluoroethyl)indole with MolForge

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Related Compounds

2-[[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-4,5,6,7-tetrahydro-1,3-benzoxazole
CID 126952627
2-[[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-5,6-dihydro-4H-cyclopenta[d][1,3]oxazole
CID 126952626
4-[1-(oxolan-2-ylmethyl)piperidin-4-yl]oxy-1-(2,2,2-trifluoroethyl)indole
CID 126952690
4-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]oxy-1-(2,2,2-trifluoroethyl)indole
CID 126952652
1-methyl-6-[[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]pyrazin-2-one
CID 126952577
2-[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]cyclohexan-1-ol
CID 126952712
3-[[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
CID 126952560
4-[1-[2-(3-methylimidazol-4-yl)ethyl]piperidin-4-yl]oxy-1-(2,2,2-trifluoroethyl)indole
CID 126952632
4-[[4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,3-oxazole
CID 126952428
3-[[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]thiolane 1,1-dioxide
CID 126952684
1-[2-[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]ethyl]azepan-2-one
CID 126952666
4-[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]oxolan-3-ol
CID 126952711

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2-cyclopropylpyrimidin-4-yl)methyl]piperidin-4-yl]oxy-1-(2,2,2-trifluoroethyl)indole?
The IUPAC name of 4-[1-[(2-cyclopropylpyrimidin-4-yl)methyl]piperidin-4-yl]oxy-1-(2,2,2-trifluoroethyl)indole (CID 126952593) is 4-[1-[(2-cyclopropylpyrimidin-4-yl)methyl]piperidin-4-yl]oxy-1-(2,2,2-trifluoroethyl)indole.
What is the SMILES notation for 4-[1-[(2-cyclopropylpyrimidin-4-yl)methyl]piperidin-4-yl]oxy-1-(2,2,2-trifluoroethyl)indole?
The canonical SMILES for 4-[1-[(2-cyclopropylpyrimidin-4-yl)methyl]piperidin-4-yl]oxy-1-(2,2,2-trifluoroethyl)indole is FC(F)(F)Cn1ccc2c(OC3CCN(Cc4ccnc(C5CC5)n4)CC3)cccc21.
What is the InChIKey of 4-[1-[(2-cyclopropylpyrimidin-4-yl)methyl]piperidin-4-yl]oxy-1-(2,2,2-trifluoroethyl)indole?
The InChIKey is HVHMCWMJYARPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N4O/c24-23(25,26)15-30-13-9-19-20(30)2-1-3-21(19)31-18-7-11-29(12-8-18)14-17-6-10-27-22(28-17)16-4-5-16/h1-3,6,9-10,13,16,18H,4-5,7-8,11-12,14-15H2.
What are the key properties of 4-[1-[(2-cyclopropylpyrimidin-4-yl)methyl]piperidin-4-yl]oxy-1-(2,2,2-trifluoroethyl)indole?
4-[1-[(2-cyclopropylpyrimidin-4-yl)methyl]piperidin-4-yl]oxy-1-(2,2,2-trifluoroethyl)indole has a molecular weight of 430.47 g/mol, XLogP of 4.91, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(2-cyclopropylpyrimidin-4-yl)methyl]piperidin-4-yl]oxy-1-(2,2,2-trifluoroethyl)indole is sourced from PubChem (CID 126952593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).