1-[2-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-(4-fluorophenoxy)ethanone

C22H27FN4O2 — CID 110263235

IUPAC1-[2-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-(4-fluorophenoxy)ethanone
SMILESCc1nc(C2CCCCN2C(=O)COc2ccc(F)cc2)nc2c1CCCN2C
InChIInChI=1S/C22H27FN4O2/c1-15-18-6-5-12-26(2)22(18)25-21(24-15)19-7-3-4-13-27(19)20(28)14-29-17-10-8-16(23)9-11-17/h8-11,19H,3-7,12-14H2,1-2H3
InChIKeyXEHGBOJIXLSWIG-UHFFFAOYSA-N
MW398.48 g/mol
LogP3.44
Rot. Bonds4

About 1-[2-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-(4-fluorophenoxy)ethanone

1-[2-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-(4-fluorophenoxy)ethanone (PubChem CID 110263235) has the molecular formula C22H27FN4O2 and a molecular weight of 398.48 g/mol. Its IUPAC name is 1-[2-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-(4-fluorophenoxy)ethanone.

Molecular Properties

Compound Name1-[2-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-(4-fluorophenoxy)ethanone
PubChem CID110263235
Molecular FormulaC22H27FN4O2
Molecular Weight398.48 g/mol
Exact Mass398.21
IUPAC Name1-[2-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-(4-fluorophenoxy)ethanone
SMILESCc1nc(C2CCCCN2C(=O)COc2ccc(F)cc2)nc2c1CCCN2C
InChIInChI=1S/C22H27FN4O2/c1-15-18-6-5-12-26(2)22(18)25-21(24-15)19-7-3-4-13-27(19)20(28)14-29-17-10-8-16(23)9-11-17/h8-11,19H,3-7,12-14H2,1-2H3
InChIKeyXEHGBOJIXLSWIG-UHFFFAOYSA-N
XLogP3.44
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluorophenoxy)-1-[2-[4-methyl-5-(piperidine-1-carbonyl)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 110247587
2-[3-[2-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-3-oxopropyl]-3H-isoindol-1-one
CID 110263145
1-[3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-phenoxyethanone
CID 110263503
2-methoxy-1-[2-[4-methyl-8-(pyridin-2-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 110263207
1-[2-[8-[(3-fluorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-3-methoxypropan-1-one
CID 110263218
1-[(2R)-2-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]-2-phenoxyethanone
CID 68689661
6-[(2S)-1-[2-(4-fluorophenoxy)acetyl]pyrrolidin-2-yl]-1H-pyrimidin-2-one
CID 125010069
N-benzyl-2-[(2R)-1-[2-(4-fluorophenoxy)acetyl]pyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 92637069
2-[(2R)-1-(2-methoxyacetyl)piperidin-2-yl]-7-[(4-methoxyphenyl)methyl]-4-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 92629478
(1,3-dimethylpyrazol-4-yl)-[(2R)-2-[8-[(4-fluorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]methanone
CID 95833014
2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]-4-methyl-8-propyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92629151
[(2S)-2-[8-[(4-fluorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 95833764

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-(4-fluorophenoxy)ethanone?
The IUPAC name of 1-[2-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-(4-fluorophenoxy)ethanone (CID 110263235) is 1-[2-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-(4-fluorophenoxy)ethanone.
What is the SMILES notation for 1-[2-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-(4-fluorophenoxy)ethanone?
The canonical SMILES for 1-[2-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-(4-fluorophenoxy)ethanone is Cc1nc(C2CCCCN2C(=O)COc2ccc(F)cc2)nc2c1CCCN2C.
What is the InChIKey of 1-[2-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-(4-fluorophenoxy)ethanone?
The InChIKey is XEHGBOJIXLSWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN4O2/c1-15-18-6-5-12-26(2)22(18)25-21(24-15)19-7-3-4-13-27(19)20(28)14-29-17-10-8-16(23)9-11-17/h8-11,19H,3-7,12-14H2,1-2H3.
What are the key properties of 1-[2-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-(4-fluorophenoxy)ethanone?
1-[2-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-(4-fluorophenoxy)ethanone has a molecular weight of 398.48 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-(4-fluorophenoxy)ethanone is sourced from PubChem (CID 110263235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).