5-[4-methoxy-6-(trifluoromethyl)pyrimidin-5-yl]-1-methylspiro[2H-indole-3,1'-cyclopentane]

C19H20F3N3O — CID 134549154

IUPAC5-[4-methoxy-6-(trifluoromethyl)pyrimidin-5-yl]-1-methylspiro[2H-indole-3,1'-cyclopentane]
SMILESCOc1ncnc(C(F)(F)F)c1-c1ccc2c(c1)C1(CCCC1)CN2C
InChIInChI=1S/C19H20F3N3O/c1-25-10-18(7-3-4-8-18)13-9-12(5-6-14(13)25)15-16(19(20,21)22)23-11-24-17(15)26-2/h5-6,9,11H,3-4,7-8,10H2,1-2H3
InChIKeySQKORIFNICJFFY-UHFFFAOYSA-N
MW363.38 g/mol
LogP4.43
Rot. Bonds2

About 5-[4-methoxy-6-(trifluoromethyl)pyrimidin-5-yl]-1-methylspiro[2H-indole-3,1'-cyclopentane]

5-[4-methoxy-6-(trifluoromethyl)pyrimidin-5-yl]-1-methylspiro[2H-indole-3,1'-cyclopentane] (PubChem CID 134549154) has the molecular formula C19H20F3N3O and a molecular weight of 363.38 g/mol. Its IUPAC name is 5-[4-methoxy-6-(trifluoromethyl)pyrimidin-5-yl]-1-methylspiro[2H-indole-3,1'-cyclopentane].

Molecular Properties

Compound Name5-[4-methoxy-6-(trifluoromethyl)pyrimidin-5-yl]-1-methylspiro[2H-indole-3,1'-cyclopentane]
PubChem CID134549154
Molecular FormulaC19H20F3N3O
Molecular Weight363.38 g/mol
Exact Mass363.16
IUPAC Name5-[4-methoxy-6-(trifluoromethyl)pyrimidin-5-yl]-1-methylspiro[2H-indole-3,1'-cyclopentane]
SMILESCOc1ncnc(C(F)(F)F)c1-c1ccc2c(c1)C1(CCCC1)CN2C
InChIInChI=1S/C19H20F3N3O/c1-25-10-18(7-3-4-8-18)13-9-12(5-6-14(13)25)15-16(19(20,21)22)23-11-24-17(15)26-2/h5-6,9,11H,3-4,7-8,10H2,1-2H3
InChIKeySQKORIFNICJFFY-UHFFFAOYSA-N
XLogP4.43
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-methoxy-6-(trifluoromethyl)pyrimidin-5-yl]-1-methylspiro[2H-indole-3,1'-cyclopentane]?
The IUPAC name of 5-[4-methoxy-6-(trifluoromethyl)pyrimidin-5-yl]-1-methylspiro[2H-indole-3,1'-cyclopentane] (CID 134549154) is 5-[4-methoxy-6-(trifluoromethyl)pyrimidin-5-yl]-1-methylspiro[2H-indole-3,1'-cyclopentane].
What is the SMILES notation for 5-[4-methoxy-6-(trifluoromethyl)pyrimidin-5-yl]-1-methylspiro[2H-indole-3,1'-cyclopentane]?
The canonical SMILES for 5-[4-methoxy-6-(trifluoromethyl)pyrimidin-5-yl]-1-methylspiro[2H-indole-3,1'-cyclopentane] is COc1ncnc(C(F)(F)F)c1-c1ccc2c(c1)C1(CCCC1)CN2C.
What is the InChIKey of 5-[4-methoxy-6-(trifluoromethyl)pyrimidin-5-yl]-1-methylspiro[2H-indole-3,1'-cyclopentane]?
The InChIKey is SQKORIFNICJFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O/c1-25-10-18(7-3-4-8-18)13-9-12(5-6-14(13)25)15-16(19(20,21)22)23-11-24-17(15)26-2/h5-6,9,11H,3-4,7-8,10H2,1-2H3.
What are the key properties of 5-[4-methoxy-6-(trifluoromethyl)pyrimidin-5-yl]-1-methylspiro[2H-indole-3,1'-cyclopentane]?
5-[4-methoxy-6-(trifluoromethyl)pyrimidin-5-yl]-1-methylspiro[2H-indole-3,1'-cyclopentane] has a molecular weight of 363.38 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-methoxy-6-(trifluoromethyl)pyrimidin-5-yl]-1-methylspiro[2H-indole-3,1'-cyclopentane] is sourced from PubChem (CID 134549154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).