1-[1'-(naphthalen-1-ylmethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-yl]pyrrolidin-2-one

C25H26N4O2 — CID 155844108

IUPAC1-[1'-(naphthalen-1-ylmethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-yl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ncc2c(n1)C1(CCN(Cc3cccc4ccccc34)C1)COC2
InChIInChI=1S/C25H26N4O2/c30-22-9-4-11-29(22)24-26-13-20-15-31-17-25(23(20)27-24)10-12-28(16-25)14-19-7-3-6-18-5-1-2-8-21(18)19/h1-3,5-8,13H,4,9-12,14-17H2
InChIKeySUWFXDMRYQBIPM-UHFFFAOYSA-N
MW414.51 g/mol
LogP3.43
Rot. Bonds3

About 1-[1'-(naphthalen-1-ylmethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-yl]pyrrolidin-2-one

1-[1'-(naphthalen-1-ylmethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-yl]pyrrolidin-2-one (PubChem CID 155844108) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is 1-[1'-(naphthalen-1-ylmethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1'-(naphthalen-1-ylmethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-yl]pyrrolidin-2-one
PubChem CID155844108
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC Name1-[1'-(naphthalen-1-ylmethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-yl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ncc2c(n1)C1(CCN(Cc3cccc4ccccc34)C1)COC2
InChIInChI=1S/C25H26N4O2/c30-22-9-4-11-29(22)24-26-13-20-15-31-17-25(23(20)27-24)10-12-28(16-25)14-19-7-3-6-18-5-1-2-8-21(18)19/h1-3,5-8,13H,4,9-12,14-17H2
InChIKeySUWFXDMRYQBIPM-UHFFFAOYSA-N
XLogP3.43
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1'-(naphthalen-1-ylmethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1'-(naphthalen-1-ylmethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-yl]pyrrolidin-2-one (CID 155844108) is 1-[1'-(naphthalen-1-ylmethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1'-(naphthalen-1-ylmethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1'-(naphthalen-1-ylmethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-yl]pyrrolidin-2-one is O=C1CCCN1c1ncc2c(n1)C1(CCN(Cc3cccc4ccccc34)C1)COC2.
What is the InChIKey of 1-[1'-(naphthalen-1-ylmethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-yl]pyrrolidin-2-one?
The InChIKey is SUWFXDMRYQBIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c30-22-9-4-11-29(22)24-26-13-20-15-31-17-25(23(20)27-24)10-12-28(16-25)14-19-7-3-6-18-5-1-2-8-21(18)19/h1-3,5-8,13H,4,9-12,14-17H2.
What are the key properties of 1-[1'-(naphthalen-1-ylmethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-yl]pyrrolidin-2-one?
1-[1'-(naphthalen-1-ylmethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-yl]pyrrolidin-2-one has a molecular weight of 414.51 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1'-(naphthalen-1-ylmethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 155844108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).