N-[(1S,2R)-2-cyanocyclopentyl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C16H17N5O — CID 54755745

IUPACN-[(1S,2R)-2-cyanocyclopentyl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESN#C[C@@H]1CCC[C@@H]1NC(=O)c1c[nH]c2ncc(C3CC3)nc12
InChIInChI=1S/C16H17N5O/c17-6-10-2-1-3-12(10)21-16(22)11-7-18-15-14(11)20-13(8-19-15)9-4-5-9/h7-10,12H,1-5H2,(H,18,19)(H,21,22)/t10-,12-/m0/s1
InChIKeyUAZRGDKISSJTBW-JQWIXIFHSA-N
MW295.35 g/mol
LogP2.26
Rot. Bonds3

About N-[(1S,2R)-2-cyanocyclopentyl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

N-[(1S,2R)-2-cyanocyclopentyl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 54755745) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is N-[(1S,2R)-2-cyanocyclopentyl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-cyanocyclopentyl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID54755745
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC NameN-[(1S,2R)-2-cyanocyclopentyl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESN#C[C@@H]1CCC[C@@H]1NC(=O)c1c[nH]c2ncc(C3CC3)nc12
InChIInChI=1S/C16H17N5O/c17-6-10-2-1-3-12(10)21-16(22)11-7-18-15-14(11)20-13(8-19-15)9-4-5-9/h7-10,12H,1-5H2,(H,18,19)(H,21,22)/t10-,12-/m0/s1
InChIKeyUAZRGDKISSJTBW-JQWIXIFHSA-N
XLogP2.26
TPSA94.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-cyanocyclopentyl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-[(1S,2R)-2-cyanocyclopentyl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 54755745) is N-[(1S,2R)-2-cyanocyclopentyl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-[(1S,2R)-2-cyanocyclopentyl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-[(1S,2R)-2-cyanocyclopentyl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is N#C[C@@H]1CCC[C@@H]1NC(=O)c1c[nH]c2ncc(C3CC3)nc12.
What is the InChIKey of N-[(1S,2R)-2-cyanocyclopentyl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is UAZRGDKISSJTBW-JQWIXIFHSA-N. The full InChI is InChI=1S/C16H17N5O/c17-6-10-2-1-3-12(10)21-16(22)11-7-18-15-14(11)20-13(8-19-15)9-4-5-9/h7-10,12H,1-5H2,(H,18,19)(H,21,22)/t10-,12-/m0/s1.
What are the key properties of N-[(1S,2R)-2-cyanocyclopentyl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-[(1S,2R)-2-cyanocyclopentyl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 295.35 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-cyanocyclopentyl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 54755745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).