1,7-diazaspiro[4.4]nonan-7-yl-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methanone

C28H28FN5O — CID 118659772

IUPAC1,7-diazaspiro[4.4]nonan-7-yl-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methanone
SMILESO=C(c1ccc2c(c1)N(c1ncc(-c3ccccc3F)cn1)CC21CC1)N1CCC2(CCCN2)C1
InChIInChI=1S/C28H28FN5O/c29-23-5-2-1-4-21(23)20-15-30-26(31-16-20)34-17-27(9-10-27)22-7-6-19(14-24(22)34)25(35)33-13-11-28(18-33)8-3-12-32-28/h1-2,4-7,14-16,32H,3,8-13,17-18H2
InChIKeyRHBOPNUUJWJENA-UHFFFAOYSA-N
MW469.56 g/mol
LogP4.43
Rot. Bonds3

About 1,7-diazaspiro[4.4]nonan-7-yl-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methanone

1,7-diazaspiro[4.4]nonan-7-yl-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methanone (PubChem CID 118659772) has the molecular formula C28H28FN5O and a molecular weight of 469.56 g/mol. Its IUPAC name is 1,7-diazaspiro[4.4]nonan-7-yl-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methanone.

Molecular Properties

Compound Name1,7-diazaspiro[4.4]nonan-7-yl-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methanone
PubChem CID118659772
Molecular FormulaC28H28FN5O
Molecular Weight469.56 g/mol
Exact Mass469.23
IUPAC Name1,7-diazaspiro[4.4]nonan-7-yl-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methanone
SMILESO=C(c1ccc2c(c1)N(c1ncc(-c3ccccc3F)cn1)CC21CC1)N1CCC2(CCCN2)C1
InChIInChI=1S/C28H28FN5O/c29-23-5-2-1-4-21(23)20-15-30-26(31-16-20)34-17-27(9-10-27)22-7-6-19(14-24(22)34)25(35)33-13-11-28(18-33)8-3-12-32-28/h1-2,4-7,14-16,32H,3,8-13,17-18H2
InChIKeyRHBOPNUUJWJENA-UHFFFAOYSA-N
XLogP4.43
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.56
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,7-diazaspiro[4.4]nonan-7-yl-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methanone?
The IUPAC name of 1,7-diazaspiro[4.4]nonan-7-yl-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methanone (CID 118659772) is 1,7-diazaspiro[4.4]nonan-7-yl-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methanone.
What is the SMILES notation for 1,7-diazaspiro[4.4]nonan-7-yl-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methanone?
The canonical SMILES for 1,7-diazaspiro[4.4]nonan-7-yl-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methanone is O=C(c1ccc2c(c1)N(c1ncc(-c3ccccc3F)cn1)CC21CC1)N1CCC2(CCCN2)C1.
What is the InChIKey of 1,7-diazaspiro[4.4]nonan-7-yl-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methanone?
The InChIKey is RHBOPNUUJWJENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28FN5O/c29-23-5-2-1-4-21(23)20-15-30-26(31-16-20)34-17-27(9-10-27)22-7-6-19(14-24(22)34)25(35)33-13-11-28(18-33)8-3-12-32-28/h1-2,4-7,14-16,32H,3,8-13,17-18H2.
What are the key properties of 1,7-diazaspiro[4.4]nonan-7-yl-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methanone?
1,7-diazaspiro[4.4]nonan-7-yl-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methanone has a molecular weight of 469.56 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-diazaspiro[4.4]nonan-7-yl-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methanone is sourced from PubChem (CID 118659772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).