1-[4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-pyridinyl]pyrrolidin-3-ol

C15H15N5O — CID 141369111

IUPAC1-[4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-pyridinyl]pyrrolidin-3-ol
SMILESOC1CCN(c2cc(-c3cnc4[nH]ccc4n3)ccn2)C1
InChIInChI=1S/C15H15N5O/c21-11-3-6-20(9-11)14-7-10(1-4-16-14)13-8-18-15-12(19-13)2-5-17-15/h1-2,4-5,7-8,11,21H,3,6,9H2,(H,17,18)
InChIKeyRZTHWQZXUIATNK-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.59
Rot. Bonds2

About 1-[4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-pyridinyl]pyrrolidin-3-ol

1-[4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-pyridinyl]pyrrolidin-3-ol (PubChem CID 141369111) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 1-[4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-pyridinyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-pyridinyl]pyrrolidin-3-ol
PubChem CID141369111
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name1-[4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-pyridinyl]pyrrolidin-3-ol
SMILESOC1CCN(c2cc(-c3cnc4[nH]ccc4n3)ccn2)C1
InChIInChI=1S/C15H15N5O/c21-11-3-6-20(9-11)14-7-10(1-4-16-14)13-8-18-15-12(19-13)2-5-17-15/h1-2,4-5,7-8,11,21H,3,6,9H2,(H,17,18)
InChIKeyRZTHWQZXUIATNK-UHFFFAOYSA-N
XLogP1.59
TPSA77.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-pyridinyl]pyrrolidin-3-ol?
The IUPAC name of 1-[4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-pyridinyl]pyrrolidin-3-ol (CID 141369111) is 1-[4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-pyridinyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-pyridinyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-pyridinyl]pyrrolidin-3-ol is OC1CCN(c2cc(-c3cnc4[nH]ccc4n3)ccn2)C1.
What is the InChIKey of 1-[4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-pyridinyl]pyrrolidin-3-ol?
The InChIKey is RZTHWQZXUIATNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c21-11-3-6-20(9-11)14-7-10(1-4-16-14)13-8-18-15-12(19-13)2-5-17-15/h1-2,4-5,7-8,11,21H,3,6,9H2,(H,17,18).
What are the key properties of 1-[4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-pyridinyl]pyrrolidin-3-ol?
1-[4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-pyridinyl]pyrrolidin-3-ol has a molecular weight of 281.32 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-pyridinyl]pyrrolidin-3-ol is sourced from PubChem (CID 141369111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).