morpholin-4-yl-[1-[5-[2-(trifluoromethoxy)phenyl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methanone

C26H23F3N4O3 — CID 118660009

IUPACmorpholin-4-yl-[1-[5-[2-(trifluoromethoxy)phenyl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methanone
SMILESO=C(c1ccc2c(c1)N(c1ncc(-c3ccccc3OC(F)(F)F)cn1)CC21CC1)N1CCOCC1
InChIInChI=1S/C26H23F3N4O3/c27-26(28,29)36-22-4-2-1-3-19(22)18-14-30-24(31-15-18)33-16-25(7-8-25)20-6-5-17(13-21(20)33)23(34)32-9-11-35-12-10-32/h1-6,13-15H,7-12,16H2
InChIKeyQDQCCIWYVATXES-UHFFFAOYSA-N
MW496.49 g/mol
LogP4.70
Rot. Bonds4

About morpholin-4-yl-[1-[5-[2-(trifluoromethoxy)phenyl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methanone

morpholin-4-yl-[1-[5-[2-(trifluoromethoxy)phenyl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methanone (PubChem CID 118660009) has the molecular formula C26H23F3N4O3 and a molecular weight of 496.49 g/mol. Its IUPAC name is morpholin-4-yl-[1-[5-[2-(trifluoromethoxy)phenyl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[1-[5-[2-(trifluoromethoxy)phenyl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methanone
PubChem CID118660009
Molecular FormulaC26H23F3N4O3
Molecular Weight496.49 g/mol
Exact Mass496.17
IUPAC Namemorpholin-4-yl-[1-[5-[2-(trifluoromethoxy)phenyl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methanone
SMILESO=C(c1ccc2c(c1)N(c1ncc(-c3ccccc3OC(F)(F)F)cn1)CC21CC1)N1CCOCC1
InChIInChI=1S/C26H23F3N4O3/c27-26(28,29)36-22-4-2-1-3-19(22)18-14-30-24(31-15-18)33-16-25(7-8-25)20-6-5-17(13-21(20)33)23(34)32-9-11-35-12-10-32/h1-6,13-15H,7-12,16H2
InChIKeyQDQCCIWYVATXES-UHFFFAOYSA-N
XLogP4.70
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.49
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[1-[5-[2-(trifluoromethoxy)phenyl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methanone?
The IUPAC name of morpholin-4-yl-[1-[5-[2-(trifluoromethoxy)phenyl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methanone (CID 118660009) is morpholin-4-yl-[1-[5-[2-(trifluoromethoxy)phenyl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[1-[5-[2-(trifluoromethoxy)phenyl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methanone?
The canonical SMILES for morpholin-4-yl-[1-[5-[2-(trifluoromethoxy)phenyl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methanone is O=C(c1ccc2c(c1)N(c1ncc(-c3ccccc3OC(F)(F)F)cn1)CC21CC1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[1-[5-[2-(trifluoromethoxy)phenyl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methanone?
The InChIKey is QDQCCIWYVATXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N4O3/c27-26(28,29)36-22-4-2-1-3-19(22)18-14-30-24(31-15-18)33-16-25(7-8-25)20-6-5-17(13-21(20)33)23(34)32-9-11-35-12-10-32/h1-6,13-15H,7-12,16H2.
What are the key properties of morpholin-4-yl-[1-[5-[2-(trifluoromethoxy)phenyl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methanone?
morpholin-4-yl-[1-[5-[2-(trifluoromethoxy)phenyl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methanone has a molecular weight of 496.49 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[1-[5-[2-(trifluoromethoxy)phenyl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methanone is sourced from PubChem (CID 118660009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).