(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(5-morpholin-4-yl-3-pyridinyl)methanone

C22H24FN3O2 — CID 166185653

IUPAC(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(5-morpholin-4-yl-3-pyridinyl)methanone
SMILESO=C(c1cncc(N2CCOCC2)c1)N1CC2(CCCC2)c2c(F)cccc21
InChIInChI=1S/C22H24FN3O2/c23-18-4-3-5-19-20(18)22(6-1-2-7-22)15-26(19)21(27)16-12-17(14-24-13-16)25-8-10-28-11-9-25/h3-5,12-14H,1-2,6-11,15H2
InChIKeyKWNXZGAKPGLZAG-UHFFFAOYSA-N
MW381.45 g/mol
LogP3.53
Rot. Bonds2

About (4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(5-morpholin-4-yl-3-pyridinyl)methanone

(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(5-morpholin-4-yl-3-pyridinyl)methanone (PubChem CID 166185653) has the molecular formula C22H24FN3O2 and a molecular weight of 381.45 g/mol. Its IUPAC name is (4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(5-morpholin-4-yl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(5-morpholin-4-yl-3-pyridinyl)methanone
PubChem CID166185653
Molecular FormulaC22H24FN3O2
Molecular Weight381.45 g/mol
Exact Mass381.19
IUPAC Name(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(5-morpholin-4-yl-3-pyridinyl)methanone
SMILESO=C(c1cncc(N2CCOCC2)c1)N1CC2(CCCC2)c2c(F)cccc21
InChIInChI=1S/C22H24FN3O2/c23-18-4-3-5-19-20(18)22(6-1-2-7-22)15-26(19)21(27)16-12-17(14-24-13-16)25-8-10-28-11-9-25/h3-5,12-14H,1-2,6-11,15H2
InChIKeyKWNXZGAKPGLZAG-UHFFFAOYSA-N
XLogP3.53
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(5-morpholin-4-yl-3-pyridinyl)methanone?
The IUPAC name of (4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(5-morpholin-4-yl-3-pyridinyl)methanone (CID 166185653) is (4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(5-morpholin-4-yl-3-pyridinyl)methanone.
What is the SMILES notation for (4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(5-morpholin-4-yl-3-pyridinyl)methanone?
The canonical SMILES for (4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(5-morpholin-4-yl-3-pyridinyl)methanone is O=C(c1cncc(N2CCOCC2)c1)N1CC2(CCCC2)c2c(F)cccc21.
What is the InChIKey of (4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(5-morpholin-4-yl-3-pyridinyl)methanone?
The InChIKey is KWNXZGAKPGLZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O2/c23-18-4-3-5-19-20(18)22(6-1-2-7-22)15-26(19)21(27)16-12-17(14-24-13-16)25-8-10-28-11-9-25/h3-5,12-14H,1-2,6-11,15H2.
What are the key properties of (4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(5-morpholin-4-yl-3-pyridinyl)methanone?
(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(5-morpholin-4-yl-3-pyridinyl)methanone has a molecular weight of 381.45 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(5-morpholin-4-yl-3-pyridinyl)methanone is sourced from PubChem (CID 166185653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).