5-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one

C20H20N4O — CID 165396177

IUPAC5-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESO=C1Nc2ccc(-c3nc(N4CCC4)nc4c3CCC4)cc2C12CC2
InChIInChI=1S/C20H20N4O/c25-18-20(7-8-20)14-11-12(5-6-16(14)21-18)17-13-3-1-4-15(13)22-19(23-17)24-9-2-10-24/h5-6,11H,1-4,7-10H2,(H,21,25)
InChIKeyFEKNQWRAJBMVMV-UHFFFAOYSA-N
MW332.41 g/mol
LogP2.83
Rot. Bonds2

About 5-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one

5-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one (PubChem CID 165396177) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 5-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one.

Molecular Properties

Compound Name5-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one
PubChem CID165396177
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name5-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESO=C1Nc2ccc(-c3nc(N4CCC4)nc4c3CCC4)cc2C12CC2
InChIInChI=1S/C20H20N4O/c25-18-20(7-8-20)14-11-12(5-6-16(14)21-18)17-13-3-1-4-15(13)22-19(23-17)24-9-2-10-24/h5-6,11H,1-4,7-10H2,(H,21,25)
InChIKeyFEKNQWRAJBMVMV-UHFFFAOYSA-N
XLogP2.83
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one?
The IUPAC name of 5-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one (CID 165396177) is 5-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one.
What is the SMILES notation for 5-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one?
The canonical SMILES for 5-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one is O=C1Nc2ccc(-c3nc(N4CCC4)nc4c3CCC4)cc2C12CC2.
What is the InChIKey of 5-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one?
The InChIKey is FEKNQWRAJBMVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c25-18-20(7-8-20)14-11-12(5-6-16(14)21-18)17-13-3-1-4-15(13)22-19(23-17)24-9-2-10-24/h5-6,11H,1-4,7-10H2,(H,21,25).
What are the key properties of 5-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one?
5-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one has a molecular weight of 332.41 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one is sourced from PubChem (CID 165396177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).