[6-(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-3-pyridinyl]-(2-hydroxypyrrolidin-1-yl)methanone

C21H19N7O2 — CID 71011104

IUPAC[6-(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-3-pyridinyl]-(2-hydroxypyrrolidin-1-yl)methanone
SMILESNc1nn2cc(-c3ccc(C(=O)N4CCCC4O)cn3)cnc2c1-c1ccccn1
InChIInChI=1S/C21H19N7O2/c22-19-18(16-4-1-2-8-23-16)20-25-11-14(12-28(20)26-19)15-7-6-13(10-24-15)21(30)27-9-3-5-17(27)29/h1-2,4,6-8,10-12,17,29H,3,5,9H2,(H2,22,26)
InChIKeyYNDBVUIMWHLLLE-UHFFFAOYSA-N
MW401.43 g/mol
LogP1.99
Rot. Bonds3

About [6-(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-3-pyridinyl]-(2-hydroxypyrrolidin-1-yl)methanone

[6-(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-3-pyridinyl]-(2-hydroxypyrrolidin-1-yl)methanone (PubChem CID 71011104) has the molecular formula C21H19N7O2 and a molecular weight of 401.43 g/mol. Its IUPAC name is [6-(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-3-pyridinyl]-(2-hydroxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[6-(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-3-pyridinyl]-(2-hydroxypyrrolidin-1-yl)methanone
PubChem CID71011104
Molecular FormulaC21H19N7O2
Molecular Weight401.43 g/mol
Exact Mass401.16
IUPAC Name[6-(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-3-pyridinyl]-(2-hydroxypyrrolidin-1-yl)methanone
SMILESNc1nn2cc(-c3ccc(C(=O)N4CCCC4O)cn3)cnc2c1-c1ccccn1
InChIInChI=1S/C21H19N7O2/c22-19-18(16-4-1-2-8-23-16)20-25-11-14(12-28(20)26-19)15-7-6-13(10-24-15)21(30)27-9-3-5-17(27)29/h1-2,4,6-8,10-12,17,29H,3,5,9H2,(H2,22,26)
InChIKeyYNDBVUIMWHLLLE-UHFFFAOYSA-N
XLogP1.99
TPSA122.53 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [6-(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-3-pyridinyl]-(2-hydroxypyrrolidin-1-yl)methanone?
The IUPAC name of [6-(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-3-pyridinyl]-(2-hydroxypyrrolidin-1-yl)methanone (CID 71011104) is [6-(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-3-pyridinyl]-(2-hydroxypyrrolidin-1-yl)methanone.
What is the SMILES notation for [6-(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-3-pyridinyl]-(2-hydroxypyrrolidin-1-yl)methanone?
The canonical SMILES for [6-(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-3-pyridinyl]-(2-hydroxypyrrolidin-1-yl)methanone is Nc1nn2cc(-c3ccc(C(=O)N4CCCC4O)cn3)cnc2c1-c1ccccn1.
What is the InChIKey of [6-(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-3-pyridinyl]-(2-hydroxypyrrolidin-1-yl)methanone?
The InChIKey is YNDBVUIMWHLLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7O2/c22-19-18(16-4-1-2-8-23-16)20-25-11-14(12-28(20)26-19)15-7-6-13(10-24-15)21(30)27-9-3-5-17(27)29/h1-2,4,6-8,10-12,17,29H,3,5,9H2,(H2,22,26).
What are the key properties of [6-(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-3-pyridinyl]-(2-hydroxypyrrolidin-1-yl)methanone?
[6-(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-3-pyridinyl]-(2-hydroxypyrrolidin-1-yl)methanone has a molecular weight of 401.43 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-3-pyridinyl]-(2-hydroxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 71011104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).