2-cyclopropyl-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C18H23N5O2 — CID 53385838

IUPAC2-cyclopropyl-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESC[C@@H](NC(=O)c1c[nH]c2ncc(C3CC3)nc12)C(=O)N1CCCCC1
InChIInChI=1S/C18H23N5O2/c1-11(18(25)23-7-3-2-4-8-23)21-17(24)13-9-19-16-15(13)22-14(10-20-16)12-5-6-12/h9-12H,2-8H2,1H3,(H,19,20)(H,21,24)/t11-/m1/s1
InChIKeySTEKXUJMQOKLQV-LLVKDONJSA-N
MW341.42 g/mol
LogP1.97
Rot. Bonds4

About 2-cyclopropyl-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

2-cyclopropyl-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 53385838) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID53385838
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name2-cyclopropyl-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESC[C@@H](NC(=O)c1c[nH]c2ncc(C3CC3)nc12)C(=O)N1CCCCC1
InChIInChI=1S/C18H23N5O2/c1-11(18(25)23-7-3-2-4-8-23)21-17(24)13-9-19-16-15(13)22-14(10-20-16)12-5-6-12/h9-12H,2-8H2,1H3,(H,19,20)(H,21,24)/t11-/m1/s1
InChIKeySTEKXUJMQOKLQV-LLVKDONJSA-N
XLogP1.97
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 53385838) is 2-cyclopropyl-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is C[C@@H](NC(=O)c1c[nH]c2ncc(C3CC3)nc12)C(=O)N1CCCCC1.
What is the InChIKey of 2-cyclopropyl-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is STEKXUJMQOKLQV-LLVKDONJSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-11(18(25)23-7-3-2-4-8-23)21-17(24)13-9-19-16-15(13)22-14(10-20-16)12-5-6-12/h9-12H,2-8H2,1H3,(H,19,20)(H,21,24)/t11-/m1/s1.
What are the key properties of 2-cyclopropyl-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
2-cyclopropyl-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 53385838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).