6-[[(2R,3S)-1-(2-methoxyethyl)-2-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methylamino]pyrazine-2-carboxamide

C17H23N7O3 — CID 128990875

IUPAC6-[[(2R,3S)-1-(2-methoxyethyl)-2-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methylamino]pyrazine-2-carboxamide
SMILESCOCCN1C(=O)C[C@@H](CNc2cncc(C(N)=O)n2)[C@@H]1c1cnn(C)c1
InChIInChI=1S/C17H23N7O3/c1-23-10-12(7-21-23)16-11(5-15(25)24(16)3-4-27-2)6-20-14-9-19-8-13(22-14)17(18)26/h7-11,16H,3-6H2,1-2H3,(H2,18,26)(H,20,22)/t11-,16+/m0/s1
InChIKeyZBBVJBCGRLRHAL-MEDUHNTESA-N
MW373.42 g/mol
LogP-0.04
Rot. Bonds8

About 6-[[(2R,3S)-1-(2-methoxyethyl)-2-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methylamino]pyrazine-2-carboxamide

6-[[(2R,3S)-1-(2-methoxyethyl)-2-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methylamino]pyrazine-2-carboxamide (PubChem CID 128990875) has the molecular formula C17H23N7O3 and a molecular weight of 373.42 g/mol. Its IUPAC name is 6-[[(2R,3S)-1-(2-methoxyethyl)-2-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methylamino]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-[[(2R,3S)-1-(2-methoxyethyl)-2-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methylamino]pyrazine-2-carboxamide
PubChem CID128990875
Molecular FormulaC17H23N7O3
Molecular Weight373.42 g/mol
Exact Mass373.19
IUPAC Name6-[[(2R,3S)-1-(2-methoxyethyl)-2-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methylamino]pyrazine-2-carboxamide
SMILESCOCCN1C(=O)C[C@@H](CNc2cncc(C(N)=O)n2)[C@@H]1c1cnn(C)c1
InChIInChI=1S/C17H23N7O3/c1-23-10-12(7-21-23)16-11(5-15(25)24(16)3-4-27-2)6-20-14-9-19-8-13(22-14)17(18)26/h7-11,16H,3-6H2,1-2H3,(H2,18,26)(H,20,22)/t11-,16+/m0/s1
InChIKeyZBBVJBCGRLRHAL-MEDUHNTESA-N
XLogP-0.04
TPSA128.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[[(2R,3S)-1-(2-methoxyethyl)-2-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methylamino]pyrazine-2-carboxamide?
The IUPAC name of 6-[[(2R,3S)-1-(2-methoxyethyl)-2-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methylamino]pyrazine-2-carboxamide (CID 128990875) is 6-[[(2R,3S)-1-(2-methoxyethyl)-2-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methylamino]pyrazine-2-carboxamide.
What is the SMILES notation for 6-[[(2R,3S)-1-(2-methoxyethyl)-2-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methylamino]pyrazine-2-carboxamide?
The canonical SMILES for 6-[[(2R,3S)-1-(2-methoxyethyl)-2-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methylamino]pyrazine-2-carboxamide is COCCN1C(=O)C[C@@H](CNc2cncc(C(N)=O)n2)[C@@H]1c1cnn(C)c1.
What is the InChIKey of 6-[[(2R,3S)-1-(2-methoxyethyl)-2-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methylamino]pyrazine-2-carboxamide?
The InChIKey is ZBBVJBCGRLRHAL-MEDUHNTESA-N. The full InChI is InChI=1S/C17H23N7O3/c1-23-10-12(7-21-23)16-11(5-15(25)24(16)3-4-27-2)6-20-14-9-19-8-13(22-14)17(18)26/h7-11,16H,3-6H2,1-2H3,(H2,18,26)(H,20,22)/t11-,16+/m0/s1.
What are the key properties of 6-[[(2R,3S)-1-(2-methoxyethyl)-2-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methylamino]pyrazine-2-carboxamide?
6-[[(2R,3S)-1-(2-methoxyethyl)-2-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methylamino]pyrazine-2-carboxamide has a molecular weight of 373.42 g/mol, XLogP of -0.04, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2R,3S)-1-(2-methoxyethyl)-2-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methylamino]pyrazine-2-carboxamide is sourced from PubChem (CID 128990875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).