5-(4-chloro-2-pyridinyl)-1'-[2-[4-(trifluoromethoxy)phenyl]propan-2-yl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]

C26H25ClF3N3O2 — CID 57393568

IUPAC5-(4-chloro-2-pyridinyl)-1'-[2-[4-(trifluoromethoxy)phenyl]propan-2-yl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]
SMILESCC(C)(c1ccc(OC(F)(F)F)cc1)N1CCC2(CC1)OC(c1cc(Cl)ccn1)c1cccnc12
InChIInChI=1S/C26H25ClF3N3O2/c1-24(2,17-5-7-19(8-6-17)34-26(28,29)30)33-14-10-25(11-15-33)23-20(4-3-12-32-23)22(35-25)21-16-18(27)9-13-31-21/h3-9,12-13,16,22H,10-11,14-15H2,1-2H3
InChIKeyYOXWNCRWJMZYKR-UHFFFAOYSA-N
MW503.95 g/mol
LogP6.37
Rot. Bonds4

About 5-(4-chloro-2-pyridinyl)-1'-[2-[4-(trifluoromethoxy)phenyl]propan-2-yl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]

5-(4-chloro-2-pyridinyl)-1'-[2-[4-(trifluoromethoxy)phenyl]propan-2-yl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine] (PubChem CID 57393568) has the molecular formula C26H25ClF3N3O2 and a molecular weight of 503.95 g/mol. Its IUPAC name is 5-(4-chloro-2-pyridinyl)-1'-[2-[4-(trifluoromethoxy)phenyl]propan-2-yl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine].

Molecular Properties

Compound Name5-(4-chloro-2-pyridinyl)-1'-[2-[4-(trifluoromethoxy)phenyl]propan-2-yl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]
PubChem CID57393568
Molecular FormulaC26H25ClF3N3O2
Molecular Weight503.95 g/mol
Exact Mass503.16
IUPAC Name5-(4-chloro-2-pyridinyl)-1'-[2-[4-(trifluoromethoxy)phenyl]propan-2-yl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]
SMILESCC(C)(c1ccc(OC(F)(F)F)cc1)N1CCC2(CC1)OC(c1cc(Cl)ccn1)c1cccnc12
InChIInChI=1S/C26H25ClF3N3O2/c1-24(2,17-5-7-19(8-6-17)34-26(28,29)30)33-14-10-25(11-15-33)23-20(4-3-12-32-23)22(35-25)21-16-18(27)9-13-31-21/h3-9,12-13,16,22H,10-11,14-15H2,1-2H3
InChIKeyYOXWNCRWJMZYKR-UHFFFAOYSA-N
XLogP6.37
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.95
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2-pyridinyl)-1'-[2-[4-(trifluoromethoxy)phenyl]propan-2-yl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]?
The IUPAC name of 5-(4-chloro-2-pyridinyl)-1'-[2-[4-(trifluoromethoxy)phenyl]propan-2-yl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine] (CID 57393568) is 5-(4-chloro-2-pyridinyl)-1'-[2-[4-(trifluoromethoxy)phenyl]propan-2-yl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine].
What is the SMILES notation for 5-(4-chloro-2-pyridinyl)-1'-[2-[4-(trifluoromethoxy)phenyl]propan-2-yl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]?
The canonical SMILES for 5-(4-chloro-2-pyridinyl)-1'-[2-[4-(trifluoromethoxy)phenyl]propan-2-yl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine] is CC(C)(c1ccc(OC(F)(F)F)cc1)N1CCC2(CC1)OC(c1cc(Cl)ccn1)c1cccnc12.
What is the InChIKey of 5-(4-chloro-2-pyridinyl)-1'-[2-[4-(trifluoromethoxy)phenyl]propan-2-yl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]?
The InChIKey is YOXWNCRWJMZYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClF3N3O2/c1-24(2,17-5-7-19(8-6-17)34-26(28,29)30)33-14-10-25(11-15-33)23-20(4-3-12-32-23)22(35-25)21-16-18(27)9-13-31-21/h3-9,12-13,16,22H,10-11,14-15H2,1-2H3.
What are the key properties of 5-(4-chloro-2-pyridinyl)-1'-[2-[4-(trifluoromethoxy)phenyl]propan-2-yl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]?
5-(4-chloro-2-pyridinyl)-1'-[2-[4-(trifluoromethoxy)phenyl]propan-2-yl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine] has a molecular weight of 503.95 g/mol, XLogP of 6.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-2-pyridinyl)-1'-[2-[4-(trifluoromethoxy)phenyl]propan-2-yl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine] is sourced from PubChem (CID 57393568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).