7-[2-(dimethylamino)ethoxy]-4-fluoro-1-methyl-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one

C25H33FN6O3 — CID 138594573

IUPAC7-[2-(dimethylamino)ethoxy]-4-fluoro-1-methyl-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one
SMILESCN(C)CCOc1ccc(F)c2c1N(C)C(=O)C21CCN(c2nc3c(c(=O)[nH]2)CCCN3C)CC1
InChIInChI=1S/C25H33FN6O3/c1-29(2)14-15-35-18-8-7-17(26)19-20(18)31(4)23(34)25(19)9-12-32(13-10-25)24-27-21-16(22(33)28-24)6-5-11-30(21)3/h7-8H,5-6,9-15H2,1-4H3,(H,27,28,33)
InChIKeyXLRDFCZRDSIEIK-UHFFFAOYSA-N
MW484.58 g/mol
LogP1.75
Rot. Bonds5

About 7-[2-(dimethylamino)ethoxy]-4-fluoro-1-methyl-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one

7-[2-(dimethylamino)ethoxy]-4-fluoro-1-methyl-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one (PubChem CID 138594573) has the molecular formula C25H33FN6O3 and a molecular weight of 484.58 g/mol. Its IUPAC name is 7-[2-(dimethylamino)ethoxy]-4-fluoro-1-methyl-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name7-[2-(dimethylamino)ethoxy]-4-fluoro-1-methyl-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one
PubChem CID138594573
Molecular FormulaC25H33FN6O3
Molecular Weight484.58 g/mol
Exact Mass484.26
IUPAC Name7-[2-(dimethylamino)ethoxy]-4-fluoro-1-methyl-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one
SMILESCN(C)CCOc1ccc(F)c2c1N(C)C(=O)C21CCN(c2nc3c(c(=O)[nH]2)CCCN3C)CC1
InChIInChI=1S/C25H33FN6O3/c1-29(2)14-15-35-18-8-7-17(26)19-20(18)31(4)23(34)25(19)9-12-32(13-10-25)24-27-21-16(22(33)28-24)6-5-11-30(21)3/h7-8H,5-6,9-15H2,1-4H3,(H,27,28,33)
InChIKeyXLRDFCZRDSIEIK-UHFFFAOYSA-N
XLogP1.75
TPSA85.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.58
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-[2-(dimethylamino)ethoxy]-4-fluoro-1-methyl-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(dimethylamino)ethoxy]-4-fluoro-1-methyl-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 7-[2-(dimethylamino)ethoxy]-4-fluoro-1-methyl-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one (CID 138594573) is 7-[2-(dimethylamino)ethoxy]-4-fluoro-1-methyl-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 7-[2-(dimethylamino)ethoxy]-4-fluoro-1-methyl-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 7-[2-(dimethylamino)ethoxy]-4-fluoro-1-methyl-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one is CN(C)CCOc1ccc(F)c2c1N(C)C(=O)C21CCN(c2nc3c(c(=O)[nH]2)CCCN3C)CC1.
What is the InChIKey of 7-[2-(dimethylamino)ethoxy]-4-fluoro-1-methyl-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one?
The InChIKey is XLRDFCZRDSIEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33FN6O3/c1-29(2)14-15-35-18-8-7-17(26)19-20(18)31(4)23(34)25(19)9-12-32(13-10-25)24-27-21-16(22(33)28-24)6-5-11-30(21)3/h7-8H,5-6,9-15H2,1-4H3,(H,27,28,33).
What are the key properties of 7-[2-(dimethylamino)ethoxy]-4-fluoro-1-methyl-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one?
7-[2-(dimethylamino)ethoxy]-4-fluoro-1-methyl-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one has a molecular weight of 484.58 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(dimethylamino)ethoxy]-4-fluoro-1-methyl-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 138594573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).