(5R,6S)-6-(1-ethylpyrazol-4-yl)-5-[(5-fluoropyrimidin-2-yl)amino]piperidin-2-one

C14H17FN6O — CID 129006867

IUPAC(5R,6S)-6-(1-ethylpyrazol-4-yl)-5-[(5-fluoropyrimidin-2-yl)amino]piperidin-2-one
SMILESCCn1cc([C@@H]2NC(=O)CC[C@H]2Nc2ncc(F)cn2)cn1
InChIInChI=1S/C14H17FN6O/c1-2-21-8-9(5-18-21)13-11(3-4-12(22)20-13)19-14-16-6-10(15)7-17-14/h5-8,11,13H,2-4H2,1H3,(H,20,22)(H,16,17,19)/t11-,13+/m1/s1
InChIKeyURCLVUVSSAAJOE-YPMHNXCESA-N
MW304.33 g/mol
LogP1.26
Rot. Bonds4

About (5R,6S)-6-(1-ethylpyrazol-4-yl)-5-[(5-fluoropyrimidin-2-yl)amino]piperidin-2-one

(5R,6S)-6-(1-ethylpyrazol-4-yl)-5-[(5-fluoropyrimidin-2-yl)amino]piperidin-2-one (PubChem CID 129006867) has the molecular formula C14H17FN6O and a molecular weight of 304.33 g/mol. Its IUPAC name is (5R,6S)-6-(1-ethylpyrazol-4-yl)-5-[(5-fluoropyrimidin-2-yl)amino]piperidin-2-one.

Molecular Properties

Compound Name(5R,6S)-6-(1-ethylpyrazol-4-yl)-5-[(5-fluoropyrimidin-2-yl)amino]piperidin-2-one
PubChem CID129006867
Molecular FormulaC14H17FN6O
Molecular Weight304.33 g/mol
Exact Mass304.14
IUPAC Name(5R,6S)-6-(1-ethylpyrazol-4-yl)-5-[(5-fluoropyrimidin-2-yl)amino]piperidin-2-one
SMILESCCn1cc([C@@H]2NC(=O)CC[C@H]2Nc2ncc(F)cn2)cn1
InChIInChI=1S/C14H17FN6O/c1-2-21-8-9(5-18-21)13-11(3-4-12(22)20-13)19-14-16-6-10(15)7-17-14/h5-8,11,13H,2-4H2,1H3,(H,20,22)(H,16,17,19)/t11-,13+/m1/s1
InChIKeyURCLVUVSSAAJOE-YPMHNXCESA-N
XLogP1.26
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(5R,6S)-5-[(5-ethylfuran-2-yl)methylamino]-6-(1-ethylpyrazol-4-yl)piperidin-2-one
CID 128993535
(5R,6S)-5-[[(2R,6R)-2,6-dimethyloxan-4-yl]amino]-6-(1-ethylpyrazol-4-yl)piperidin-2-one
CID 129339101
(5R,6R)-5-amino-6-(1-ethylpyrazol-4-yl)piperidin-2-one
CID 124681117
(5R,6S)-6-(1-ethylpyrazol-4-yl)-5-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-2-one
CID 129002667
5-chloro-6-[[(2S,3R)-2-(1-ethylpyrazol-4-yl)-6-oxopiperidin-3-yl]amino]pyridine-3-carbonitrile
CID 129002631
(5R,6S)-6-(1-ethylpyrazol-4-yl)-5-[(3-methylphenyl)methylamino]piperidin-2-one
CID 146133555
(5R,6S)-6-(1-ethylpyrazol-4-yl)-5-[(6-methylimidazo[1,2-a]pyridin-3-yl)methylamino]piperidin-2-one
CID 129003360
(5R,6S)-6-(1-ethylpyrazol-4-yl)-5-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylamino]piperidin-2-one
CID 129343145
(5R,6S)-5-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]-6-(1-ethylpyrazol-4-yl)piperidin-2-one
CID 129007198
(5R,6S)-5-[(4-methoxypyrimidin-2-yl)amino]-6-(1-methylpyrazol-4-yl)piperidin-2-one
CID 129006946
(5R,6S)-5-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]-6-(1-ethylpyrazol-4-yl)piperidin-2-one
CID 129001857
(5R,6S)-6-(1-methylpyrazol-4-yl)-5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one
CID 129003401

Frequently Asked Questions

What is the IUPAC name of (5R,6S)-6-(1-ethylpyrazol-4-yl)-5-[(5-fluoropyrimidin-2-yl)amino]piperidin-2-one?
The IUPAC name of (5R,6S)-6-(1-ethylpyrazol-4-yl)-5-[(5-fluoropyrimidin-2-yl)amino]piperidin-2-one (CID 129006867) is (5R,6S)-6-(1-ethylpyrazol-4-yl)-5-[(5-fluoropyrimidin-2-yl)amino]piperidin-2-one.
What is the SMILES notation for (5R,6S)-6-(1-ethylpyrazol-4-yl)-5-[(5-fluoropyrimidin-2-yl)amino]piperidin-2-one?
The canonical SMILES for (5R,6S)-6-(1-ethylpyrazol-4-yl)-5-[(5-fluoropyrimidin-2-yl)amino]piperidin-2-one is CCn1cc([C@@H]2NC(=O)CC[C@H]2Nc2ncc(F)cn2)cn1.
What is the InChIKey of (5R,6S)-6-(1-ethylpyrazol-4-yl)-5-[(5-fluoropyrimidin-2-yl)amino]piperidin-2-one?
The InChIKey is URCLVUVSSAAJOE-YPMHNXCESA-N. The full InChI is InChI=1S/C14H17FN6O/c1-2-21-8-9(5-18-21)13-11(3-4-12(22)20-13)19-14-16-6-10(15)7-17-14/h5-8,11,13H,2-4H2,1H3,(H,20,22)(H,16,17,19)/t11-,13+/m1/s1.
What are the key properties of (5R,6S)-6-(1-ethylpyrazol-4-yl)-5-[(5-fluoropyrimidin-2-yl)amino]piperidin-2-one?
(5R,6S)-6-(1-ethylpyrazol-4-yl)-5-[(5-fluoropyrimidin-2-yl)amino]piperidin-2-one has a molecular weight of 304.33 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-6-(1-ethylpyrazol-4-yl)-5-[(5-fluoropyrimidin-2-yl)amino]piperidin-2-one is sourced from PubChem (CID 129006867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).