(5R,6S)-6-(1-ethylpyrazol-4-yl)-5-[(6-methylimidazo[1,2-a]pyridin-3-yl)methylamino]piperidin-2-one

C19H24N6O — CID 129003360

IUPAC(5R,6S)-6-(1-ethylpyrazol-4-yl)-5-[(6-methylimidazo[1,2-a]pyridin-3-yl)methylamino]piperidin-2-one
SMILESCCn1cc([C@@H]2NC(=O)CC[C@H]2NCc2cnc3ccc(C)cn23)cn1
InChIInChI=1S/C19H24N6O/c1-3-24-12-14(8-22-24)19-16(5-7-18(26)23-19)20-9-15-10-21-17-6-4-13(2)11-25(15)17/h4,6,8,10-12,16,19-20H,3,5,7,9H2,1-2H3,(H,23,26)/t16-,19+/m1/s1
InChIKeyLUUHSCAVNWSMSH-APWZRJJASA-N
MW352.44 g/mol
LogP1.97
Rot. Bonds5

About (5R,6S)-6-(1-ethylpyrazol-4-yl)-5-[(6-methylimidazo[1,2-a]pyridin-3-yl)methylamino]piperidin-2-one

(5R,6S)-6-(1-ethylpyrazol-4-yl)-5-[(6-methylimidazo[1,2-a]pyridin-3-yl)methylamino]piperidin-2-one (PubChem CID 129003360) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is (5R,6S)-6-(1-ethylpyrazol-4-yl)-5-[(6-methylimidazo[1,2-a]pyridin-3-yl)methylamino]piperidin-2-one.

Molecular Properties

Compound Name(5R,6S)-6-(1-ethylpyrazol-4-yl)-5-[(6-methylimidazo[1,2-a]pyridin-3-yl)methylamino]piperidin-2-one
PubChem CID129003360
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name(5R,6S)-6-(1-ethylpyrazol-4-yl)-5-[(6-methylimidazo[1,2-a]pyridin-3-yl)methylamino]piperidin-2-one
SMILESCCn1cc([C@@H]2NC(=O)CC[C@H]2NCc2cnc3ccc(C)cn23)cn1
InChIInChI=1S/C19H24N6O/c1-3-24-12-14(8-22-24)19-16(5-7-18(26)23-19)20-9-15-10-21-17-6-4-13(2)11-25(15)17/h4,6,8,10-12,16,19-20H,3,5,7,9H2,1-2H3,(H,23,26)/t16-,19+/m1/s1
InChIKeyLUUHSCAVNWSMSH-APWZRJJASA-N
XLogP1.97
TPSA76.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5R,6S)-6-(1-ethylpyrazol-4-yl)-5-[(6-methylimidazo[1,2-a]pyridin-3-yl)methylamino]piperidin-2-one?
The IUPAC name of (5R,6S)-6-(1-ethylpyrazol-4-yl)-5-[(6-methylimidazo[1,2-a]pyridin-3-yl)methylamino]piperidin-2-one (CID 129003360) is (5R,6S)-6-(1-ethylpyrazol-4-yl)-5-[(6-methylimidazo[1,2-a]pyridin-3-yl)methylamino]piperidin-2-one.
What is the SMILES notation for (5R,6S)-6-(1-ethylpyrazol-4-yl)-5-[(6-methylimidazo[1,2-a]pyridin-3-yl)methylamino]piperidin-2-one?
The canonical SMILES for (5R,6S)-6-(1-ethylpyrazol-4-yl)-5-[(6-methylimidazo[1,2-a]pyridin-3-yl)methylamino]piperidin-2-one is CCn1cc([C@@H]2NC(=O)CC[C@H]2NCc2cnc3ccc(C)cn23)cn1.
What is the InChIKey of (5R,6S)-6-(1-ethylpyrazol-4-yl)-5-[(6-methylimidazo[1,2-a]pyridin-3-yl)methylamino]piperidin-2-one?
The InChIKey is LUUHSCAVNWSMSH-APWZRJJASA-N. The full InChI is InChI=1S/C19H24N6O/c1-3-24-12-14(8-22-24)19-16(5-7-18(26)23-19)20-9-15-10-21-17-6-4-13(2)11-25(15)17/h4,6,8,10-12,16,19-20H,3,5,7,9H2,1-2H3,(H,23,26)/t16-,19+/m1/s1.
What are the key properties of (5R,6S)-6-(1-ethylpyrazol-4-yl)-5-[(6-methylimidazo[1,2-a]pyridin-3-yl)methylamino]piperidin-2-one?
(5R,6S)-6-(1-ethylpyrazol-4-yl)-5-[(6-methylimidazo[1,2-a]pyridin-3-yl)methylamino]piperidin-2-one has a molecular weight of 352.44 g/mol, XLogP of 1.97, 5 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-[(6-methylimidazo[1,2-a]pyridin-3-yl)methylamino]piperidin-2-one is sourced from PubChem (CID 129003360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).