2-cyclopropyl-N-[(3R,4S)-3-hydroxyoxan-4-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C15H18N4O3 — CID 54755623

IUPAC2-cyclopropyl-N-[(3R,4S)-3-hydroxyoxan-4-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESO=C(N[C@H]1CCOC[C@@H]1O)c1c[nH]c2ncc(C3CC3)nc12
InChIInChI=1S/C15H18N4O3/c20-12-7-22-4-3-10(12)19-15(21)9-5-16-14-13(9)18-11(6-17-14)8-1-2-8/h5-6,8,10,12,20H,1-4,7H2,(H,16,17)(H,19,21)/t10-,12-/m0/s1
InChIKeyIRKXIJVXQIQENR-JQWIXIFHSA-N
MW302.33 g/mol
LogP0.71
Rot. Bonds3

About 2-cyclopropyl-N-[(3R,4S)-3-hydroxyoxan-4-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

2-cyclopropyl-N-[(3R,4S)-3-hydroxyoxan-4-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 54755623) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(3R,4S)-3-hydroxyoxan-4-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[(3R,4S)-3-hydroxyoxan-4-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID54755623
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name2-cyclopropyl-N-[(3R,4S)-3-hydroxyoxan-4-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESO=C(N[C@H]1CCOC[C@@H]1O)c1c[nH]c2ncc(C3CC3)nc12
InChIInChI=1S/C15H18N4O3/c20-12-7-22-4-3-10(12)19-15(21)9-5-16-14-13(9)18-11(6-17-14)8-1-2-8/h5-6,8,10,12,20H,1-4,7H2,(H,16,17)(H,19,21)/t10-,12-/m0/s1
InChIKeyIRKXIJVXQIQENR-JQWIXIFHSA-N
XLogP0.71
TPSA100.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(3R,4S)-3-hydroxyoxan-4-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[(3R,4S)-3-hydroxyoxan-4-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 54755623) is 2-cyclopropyl-N-[(3R,4S)-3-hydroxyoxan-4-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[(3R,4S)-3-hydroxyoxan-4-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[(3R,4S)-3-hydroxyoxan-4-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is O=C(N[C@H]1CCOC[C@@H]1O)c1c[nH]c2ncc(C3CC3)nc12.
What is the InChIKey of 2-cyclopropyl-N-[(3R,4S)-3-hydroxyoxan-4-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is IRKXIJVXQIQENR-JQWIXIFHSA-N. The full InChI is InChI=1S/C15H18N4O3/c20-12-7-22-4-3-10(12)19-15(21)9-5-16-14-13(9)18-11(6-17-14)8-1-2-8/h5-6,8,10,12,20H,1-4,7H2,(H,16,17)(H,19,21)/t10-,12-/m0/s1.
What are the key properties of 2-cyclopropyl-N-[(3R,4S)-3-hydroxyoxan-4-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
2-cyclopropyl-N-[(3R,4S)-3-hydroxyoxan-4-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 302.33 g/mol, XLogP of 0.71, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(3R,4S)-3-hydroxyoxan-4-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 54755623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).