1'-[(2,6-difluorophenyl)methyl]-1-ethylspiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one

C20H22F2N4O — CID 16672548

IUPAC1'-[(2,6-difluorophenyl)methyl]-1-ethylspiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one
SMILESCCN1c2ncccc2C(=O)NC12CCN(Cc1c(F)cccc1F)CC2
InChIInChI=1S/C20H22F2N4O/c1-2-26-18-14(5-4-10-23-18)19(27)24-20(26)8-11-25(12-9-20)13-15-16(21)6-3-7-17(15)22/h3-7,10H,2,8-9,11-13H2,1H3,(H,24,27)
InChIKeyLHNHQYKIWFTTJM-UHFFFAOYSA-N
MW372.42 g/mol
LogP2.92
Rot. Bonds3

About 1'-[(2,6-difluorophenyl)methyl]-1-ethylspiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one

1'-[(2,6-difluorophenyl)methyl]-1-ethylspiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one (PubChem CID 16672548) has the molecular formula C20H22F2N4O and a molecular weight of 372.42 g/mol. Its IUPAC name is 1'-[(2,6-difluorophenyl)methyl]-1-ethylspiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-[(2,6-difluorophenyl)methyl]-1-ethylspiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one
PubChem CID16672548
Molecular FormulaC20H22F2N4O
Molecular Weight372.42 g/mol
Exact Mass372.18
IUPAC Name1'-[(2,6-difluorophenyl)methyl]-1-ethylspiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one
SMILESCCN1c2ncccc2C(=O)NC12CCN(Cc1c(F)cccc1F)CC2
InChIInChI=1S/C20H22F2N4O/c1-2-26-18-14(5-4-10-23-18)19(27)24-20(26)8-11-25(12-9-20)13-15-16(21)6-3-7-17(15)22/h3-7,10H,2,8-9,11-13H2,1H3,(H,24,27)
InChIKeyLHNHQYKIWFTTJM-UHFFFAOYSA-N
XLogP2.92
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-[(2,6-difluorophenyl)methyl]-1-ethylspiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one?
The IUPAC name of 1'-[(2,6-difluorophenyl)methyl]-1-ethylspiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one (CID 16672548) is 1'-[(2,6-difluorophenyl)methyl]-1-ethylspiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-[(2,6-difluorophenyl)methyl]-1-ethylspiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-[(2,6-difluorophenyl)methyl]-1-ethylspiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one is CCN1c2ncccc2C(=O)NC12CCN(Cc1c(F)cccc1F)CC2.
What is the InChIKey of 1'-[(2,6-difluorophenyl)methyl]-1-ethylspiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one?
The InChIKey is LHNHQYKIWFTTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N4O/c1-2-26-18-14(5-4-10-23-18)19(27)24-20(26)8-11-25(12-9-20)13-15-16(21)6-3-7-17(15)22/h3-7,10H,2,8-9,11-13H2,1H3,(H,24,27).
What are the key properties of 1'-[(2,6-difluorophenyl)methyl]-1-ethylspiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one?
1'-[(2,6-difluorophenyl)methyl]-1-ethylspiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one has a molecular weight of 372.42 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(2,6-difluorophenyl)methyl]-1-ethylspiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one is sourced from PubChem (CID 16672548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).