2-(2-fluorophenyl)-1-[(3R)-3-[6-(methylamino)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]ethanone

C23H24FN5O — CID 92610466

IUPAC2-(2-fluorophenyl)-1-[(3R)-3-[6-(methylamino)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]ethanone
SMILESCNc1cc([C@@H]2CCCN(C(=O)Cc3ccccc3F)C2)nc(-c2ccncc2)n1
InChIInChI=1S/C23H24FN5O/c1-25-21-14-20(27-23(28-21)16-8-10-26-11-9-16)18-6-4-12-29(15-18)22(30)13-17-5-2-3-7-19(17)24/h2-3,5,7-11,14,18H,4,6,12-13,15H2,1H3,(H,25,27,28)/t18-/m1/s1
InChIKeyXQOOOMBADJKTBV-GOSISDBHSA-N
MW405.48 g/mol
LogP3.67
Rot. Bonds5

About 2-(2-fluorophenyl)-1-[(3R)-3-[6-(methylamino)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]ethanone

2-(2-fluorophenyl)-1-[(3R)-3-[6-(methylamino)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]ethanone (PubChem CID 92610466) has the molecular formula C23H24FN5O and a molecular weight of 405.48 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1-[(3R)-3-[6-(methylamino)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-fluorophenyl)-1-[(3R)-3-[6-(methylamino)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]ethanone
PubChem CID92610466
Molecular FormulaC23H24FN5O
Molecular Weight405.48 g/mol
Exact Mass405.20
IUPAC Name2-(2-fluorophenyl)-1-[(3R)-3-[6-(methylamino)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]ethanone
SMILESCNc1cc([C@@H]2CCCN(C(=O)Cc3ccccc3F)C2)nc(-c2ccncc2)n1
InChIInChI=1S/C23H24FN5O/c1-25-21-14-20(27-23(28-21)16-8-10-26-11-9-16)18-6-4-12-29(15-18)22(30)13-17-5-2-3-7-19(17)24/h2-3,5,7-11,14,18H,4,6,12-13,15H2,1H3,(H,25,27,28)/t18-/m1/s1
InChIKeyXQOOOMBADJKTBV-GOSISDBHSA-N
XLogP3.67
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3S)-3-[6-(methylamino)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]-2-[(2S)-oxan-2-yl]ethanone
CID 92610461
2-(2-fluorophenoxy)-1-[3-[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]ethanone
CID 110240019
[3-[6-(methylamino)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 110239936
1-[3-[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]-2-(2-fluorophenyl)ethanone
CID 110239994
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-[6-(methylamino)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone
CID 110239921
2-(3-methoxyphenyl)-1-[(3S)-3-[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]ethanone
CID 92610382
1-[4-[(3S)-3-[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 92548954
[3-[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 110239982
4-[1-[2-(2-fluorophenyl)acetyl]piperidin-3-yl]-2-pyrazin-2-yl-1H-pyrimidin-6-one
CID 136881426
2,2-dimethyl-1-[(3R)-3-[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]propan-1-one
CID 92551701
3-(3-fluorophenyl)-1-[4-[6-(methylamino)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]propan-1-one
CID 92610491
2-[1-[3-(2-fluorophenyl)propanoyl]piperidin-3-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 136881215

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-1-[(3R)-3-[6-(methylamino)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(2-fluorophenyl)-1-[(3R)-3-[6-(methylamino)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]ethanone (CID 92610466) is 2-(2-fluorophenyl)-1-[(3R)-3-[6-(methylamino)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-fluorophenyl)-1-[(3R)-3-[6-(methylamino)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-fluorophenyl)-1-[(3R)-3-[6-(methylamino)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]ethanone is CNc1cc([C@@H]2CCCN(C(=O)Cc3ccccc3F)C2)nc(-c2ccncc2)n1.
What is the InChIKey of 2-(2-fluorophenyl)-1-[(3R)-3-[6-(methylamino)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]ethanone?
The InChIKey is XQOOOMBADJKTBV-GOSISDBHSA-N. The full InChI is InChI=1S/C23H24FN5O/c1-25-21-14-20(27-23(28-21)16-8-10-26-11-9-16)18-6-4-12-29(15-18)22(30)13-17-5-2-3-7-19(17)24/h2-3,5,7-11,14,18H,4,6,12-13,15H2,1H3,(H,25,27,28)/t18-/m1/s1.
What are the key properties of 2-(2-fluorophenyl)-1-[(3R)-3-[6-(methylamino)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]ethanone?
2-(2-fluorophenyl)-1-[(3R)-3-[6-(methylamino)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]ethanone has a molecular weight of 405.48 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-1-[(3R)-3-[6-(methylamino)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 92610466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).