(5R,6S)-6-(1-ethylpyrazol-4-yl)-5-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylamino]piperidin-2-one

C19H26N4O2 — CID 129343145

IUPAC(5R,6S)-6-(1-ethylpyrazol-4-yl)-5-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylamino]piperidin-2-one
SMILESCCn1cc([C@@H]2NC(=O)CC[C@H]2NCc2ccc([C@@H]3C[C@H]3C)o2)cn1
InChIInChI=1S/C19H26N4O2/c1-3-23-11-13(9-21-23)19-16(5-7-18(24)22-19)20-10-14-4-6-17(25-14)15-8-12(15)2/h4,6,9,11-12,15-16,19-20H,3,5,7-8,10H2,1-2H3,(H,22,24)/t12-,15-,16-,19+/m1/s1
InChIKeyVZITYGQFPCQPDD-GABDYKALSA-N
MW342.44 g/mol
LogP2.73
Rot. Bonds6

About (5R,6S)-6-(1-ethylpyrazol-4-yl)-5-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylamino]piperidin-2-one

(5R,6S)-6-(1-ethylpyrazol-4-yl)-5-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylamino]piperidin-2-one (PubChem CID 129343145) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is (5R,6S)-6-(1-ethylpyrazol-4-yl)-5-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylamino]piperidin-2-one.

Molecular Properties

Compound Name(5R,6S)-6-(1-ethylpyrazol-4-yl)-5-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylamino]piperidin-2-one
PubChem CID129343145
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name(5R,6S)-6-(1-ethylpyrazol-4-yl)-5-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylamino]piperidin-2-one
SMILESCCn1cc([C@@H]2NC(=O)CC[C@H]2NCc2ccc([C@@H]3C[C@H]3C)o2)cn1
InChIInChI=1S/C19H26N4O2/c1-3-23-11-13(9-21-23)19-16(5-7-18(24)22-19)20-10-14-4-6-17(25-14)15-8-12(15)2/h4,6,9,11-12,15-16,19-20H,3,5,7-8,10H2,1-2H3,(H,22,24)/t12-,15-,16-,19+/m1/s1
InChIKeyVZITYGQFPCQPDD-GABDYKALSA-N
XLogP2.73
TPSA72.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (5R,6S)-6-(1-ethylpyrazol-4-yl)-5-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylamino]piperidin-2-one with MolForge

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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)-6-(1-ethylpyrazol-4-yl)-5-[(3-methylphenyl)methylamino]piperidin-2-one
CID 146133555
(5R,6S)-5-[[(2R,6R)-2,6-dimethyloxan-4-yl]amino]-6-(1-ethylpyrazol-4-yl)piperidin-2-one
CID 129339101
(5R,6S)-5-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]-6-(1-ethylpyrazol-4-yl)piperidin-2-one
CID 129007198
(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-fluoropyrimidin-2-yl)amino]piperidin-2-one
CID 129006867
(5R,6R)-5-amino-6-(1-ethylpyrazol-4-yl)piperidin-2-one
CID 124681117
(2R,3S)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-(1-methylpyrazol-4-yl)oxan-3-amine
CID 129001673
5-chloro-6-[[(2S,3R)-2-(1-ethylpyrazol-4-yl)-6-oxopiperidin-3-yl]amino]pyridine-3-carbonitrile
CID 129002631
2-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]oxolan-3-amine
CID 115335826
2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]cyclohexan-1-ol
CID 62365432
1-ethyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]piperidin-4-amine
CID 60691616

Frequently Asked Questions

What is the IUPAC name of (5R,6S)-6-(1-ethylpyrazol-4-yl)-5-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylamino]piperidin-2-one?
The IUPAC name of (5R,6S)-6-(1-ethylpyrazol-4-yl)-5-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylamino]piperidin-2-one (CID 129343145) is (5R,6S)-6-(1-ethylpyrazol-4-yl)-5-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylamino]piperidin-2-one.
What is the SMILES notation for (5R,6S)-6-(1-ethylpyrazol-4-yl)-5-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylamino]piperidin-2-one?
The canonical SMILES for (5R,6S)-6-(1-ethylpyrazol-4-yl)-5-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylamino]piperidin-2-one is CCn1cc([C@@H]2NC(=O)CC[C@H]2NCc2ccc([C@@H]3C[C@H]3C)o2)cn1.
What is the InChIKey of (5R,6S)-6-(1-ethylpyrazol-4-yl)-5-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylamino]piperidin-2-one?
The InChIKey is VZITYGQFPCQPDD-GABDYKALSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-3-23-11-13(9-21-23)19-16(5-7-18(24)22-19)20-10-14-4-6-17(25-14)15-8-12(15)2/h4,6,9,11-12,15-16,19-20H,3,5,7-8,10H2,1-2H3,(H,22,24)/t12-,15-,16-,19+/m1/s1.
What are the key properties of (5R,6S)-6-(1-ethylpyrazol-4-yl)-5-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylamino]piperidin-2-one?
(5R,6S)-6-(1-ethylpyrazol-4-yl)-5-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylamino]piperidin-2-one has a molecular weight of 342.44 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-6-(1-ethylpyrazol-4-yl)-5-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylamino]piperidin-2-one is sourced from PubChem (CID 129343145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).