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

C24H31FN6O3 — CID 146648626

IUPAC7-[2-(dimethylamino)ethoxy]-4-fluoro-1-methyl-1'-(4-oxo-5,6,7,8-tetrahydro-3H-pyrido[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)CCCN3)CC1
InChIInChI=1S/C24H31FN6O3/c1-29(2)13-14-34-17-7-6-16(25)18-19(17)30(3)22(33)24(18)8-11-31(12-9-24)23-27-20-15(21(32)28-23)5-4-10-26-20/h6-7H,4-5,8-14H2,1-3H3,(H2,26,27,28,32)
InChIKeyRXGXDENCCBNOFT-UHFFFAOYSA-N
MW470.55 g/mol
LogP1.72
Rot. Bonds5

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

7-[2-(dimethylamino)ethoxy]-4-fluoro-1-methyl-1'-(4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one (PubChem CID 146648626) has the molecular formula C24H31FN6O3 and a molecular weight of 470.55 g/mol. Its IUPAC name is 7-[2-(dimethylamino)ethoxy]-4-fluoro-1-methyl-1'-(4-oxo-5,6,7,8-tetrahydro-3H-pyrido[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'-(4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one
PubChem CID146648626
Molecular FormulaC24H31FN6O3
Molecular Weight470.55 g/mol
Exact Mass470.24
IUPAC Name7-[2-(dimethylamino)ethoxy]-4-fluoro-1-methyl-1'-(4-oxo-5,6,7,8-tetrahydro-3H-pyrido[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)CCCN3)CC1
InChIInChI=1S/C24H31FN6O3/c1-29(2)13-14-34-17-7-6-16(25)18-19(17)30(3)22(33)24(18)8-11-31(12-9-24)23-27-20-15(21(32)28-23)5-4-10-26-20/h6-7H,4-5,8-14H2,1-3H3,(H2,26,27,28,32)
InChIKeyRXGXDENCCBNOFT-UHFFFAOYSA-N
XLogP1.72
TPSA93.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 7-[2-(dimethylamino)ethoxy]-4-fluoro-1-methyl-1'-(4-oxo-5,6,7,8-tetrahydro-3H-pyrido[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'-(4-oxo-5,6,7,8-tetrahydro-3H-pyrido[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'-(4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one (CID 146648626) is 7-[2-(dimethylamino)ethoxy]-4-fluoro-1-methyl-1'-(4-oxo-5,6,7,8-tetrahydro-3H-pyrido[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'-(4-oxo-5,6,7,8-tetrahydro-3H-pyrido[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'-(4-oxo-5,6,7,8-tetrahydro-3H-pyrido[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)CCCN3)CC1.
What is the InChIKey of 7-[2-(dimethylamino)ethoxy]-4-fluoro-1-methyl-1'-(4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one?
The InChIKey is RXGXDENCCBNOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN6O3/c1-29(2)13-14-34-17-7-6-16(25)18-19(17)30(3)22(33)24(18)8-11-31(12-9-24)23-27-20-15(21(32)28-23)5-4-10-26-20/h6-7H,4-5,8-14H2,1-3H3,(H2,26,27,28,32).
What are the key properties of 7-[2-(dimethylamino)ethoxy]-4-fluoro-1-methyl-1'-(4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one?
7-[2-(dimethylamino)ethoxy]-4-fluoro-1-methyl-1'-(4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one has a molecular weight of 470.55 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 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'-(4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 146648626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).