5-[[(2R,3R)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]amino]pyrazine-2-carbonitrile

C17H19N7O — CID 128981706

IUPAC5-[[(2R,3R)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]amino]pyrazine-2-carbonitrile
SMILESCn1nccc1[C@H]1[C@H](Nc2cnc(C#N)cn2)CCC(=O)N1C1CC1
InChIInChI=1S/C17H19N7O/c1-23-14(6-7-21-23)17-13(4-5-16(25)24(17)12-2-3-12)22-15-10-19-11(8-18)9-20-15/h6-7,9-10,12-13,17H,2-5H2,1H3,(H,20,22)/t13-,17-/m1/s1
InChIKeyUMKCTSNHXLFTPN-CXAGYDPISA-N
MW337.39 g/mol
LogP1.39
Rot. Bonds4

About 5-[[(2R,3R)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]amino]pyrazine-2-carbonitrile

5-[[(2R,3R)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]amino]pyrazine-2-carbonitrile (PubChem CID 128981706) has the molecular formula C17H19N7O and a molecular weight of 337.39 g/mol. Its IUPAC name is 5-[[(2R,3R)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[(2R,3R)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]amino]pyrazine-2-carbonitrile
PubChem CID128981706
Molecular FormulaC17H19N7O
Molecular Weight337.39 g/mol
Exact Mass337.17
IUPAC Name5-[[(2R,3R)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]amino]pyrazine-2-carbonitrile
SMILESCn1nccc1[C@H]1[C@H](Nc2cnc(C#N)cn2)CCC(=O)N1C1CC1
InChIInChI=1S/C17H19N7O/c1-23-14(6-7-21-23)17-13(4-5-16(25)24(17)12-2-3-12)22-15-10-19-11(8-18)9-20-15/h6-7,9-10,12-13,17H,2-5H2,1H3,(H,20,22)/t13-,17-/m1/s1
InChIKeyUMKCTSNHXLFTPN-CXAGYDPISA-N
XLogP1.39
TPSA99.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[[(2R,3R)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]amino]pyrazine-2-carbonitrile with MolForge

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Related Compounds

N-[(2R,3R)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]cyclopropanesulfonamide
CID 128977876
N-[(2R,3R)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]-5-methylfuran-3-carboxamide
CID 128971411
(5R,6R)-1-cyclopropyl-5-(furan-2-ylmethylamino)-6-(2-methylpyrazol-3-yl)piperidin-2-one
CID 128976738
N-[(2R,3R)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]-3-hydroxy-3-methylbutanamide
CID 128971174
methyl (2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidine-3-carboxylate
CID 124709192
(4R,5R)-1-cyclopropyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one
CID 128980643
(4R,5R)-1-cyclopropyl-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one
CID 128987605
(4R,5R)-1-cyclopropyl-4-[2-(4-fluorophenoxy)ethylamino]-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one
CID 128987659
6-[[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]amino]pyridine-3-carbonitrile
CID 154756720
(5R,6R)-1-methyl-6-(2-methylpyrazol-3-yl)-5-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)piperidin-2-one
CID 167804171
(5R,6R)-5-[(5-chloro-1-methylimidazol-2-yl)methylamino]-1-methyl-6-(2-methylpyrazol-3-yl)piperidin-2-one
CID 128976840
(5R,6R)-5-(1-methoxybutan-2-ylamino)-1-methyl-6-(2-methylpyrazol-3-yl)piperidin-2-one
CID 128983643

Frequently Asked Questions

What is the IUPAC name of 5-[[(2R,3R)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[[(2R,3R)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]amino]pyrazine-2-carbonitrile (CID 128981706) is 5-[[(2R,3R)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[(2R,3R)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[[(2R,3R)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]amino]pyrazine-2-carbonitrile is Cn1nccc1[C@H]1[C@H](Nc2cnc(C#N)cn2)CCC(=O)N1C1CC1.
What is the InChIKey of 5-[[(2R,3R)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]amino]pyrazine-2-carbonitrile?
The InChIKey is UMKCTSNHXLFTPN-CXAGYDPISA-N. The full InChI is InChI=1S/C17H19N7O/c1-23-14(6-7-21-23)17-13(4-5-16(25)24(17)12-2-3-12)22-15-10-19-11(8-18)9-20-15/h6-7,9-10,12-13,17H,2-5H2,1H3,(H,20,22)/t13-,17-/m1/s1.
What are the key properties of 5-[[(2R,3R)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]amino]pyrazine-2-carbonitrile?
5-[[(2R,3R)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]amino]pyrazine-2-carbonitrile has a molecular weight of 337.39 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2R,3R)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 128981706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).