(2-methyl-2-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-1-yl)-(oxan-4-yl)methanone

C17H22N4O2 — CID 110100149

IUPAC(2-methyl-2-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-1-yl)-(oxan-4-yl)methanone
SMILESCC1(c2ccnc3ccnn23)CCCN1C(=O)C1CCOCC1
InChIInChI=1S/C17H22N4O2/c1-17(14-3-8-18-15-4-9-19-21(14)15)7-2-10-20(17)16(22)13-5-11-23-12-6-13/h3-4,8-9,13H,2,5-7,10-12H2,1H3
InChIKeyAKIPKMZOTHYPAZ-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.99
Rot. Bonds2

About (2-methyl-2-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-1-yl)-(oxan-4-yl)methanone

(2-methyl-2-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-1-yl)-(oxan-4-yl)methanone (PubChem CID 110100149) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is (2-methyl-2-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-1-yl)-(oxan-4-yl)methanone.

Molecular Properties

Compound Name(2-methyl-2-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-1-yl)-(oxan-4-yl)methanone
PubChem CID110100149
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name(2-methyl-2-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-1-yl)-(oxan-4-yl)methanone
SMILESCC1(c2ccnc3ccnn23)CCCN1C(=O)C1CCOCC1
InChIInChI=1S/C17H22N4O2/c1-17(14-3-8-18-15-4-9-19-21(14)15)7-2-10-20(17)16(22)13-5-11-23-12-6-13/h3-4,8-9,13H,2,5-7,10-12H2,1H3
InChIKeyAKIPKMZOTHYPAZ-UHFFFAOYSA-N
XLogP1.99
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-2-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-1-yl)-(oxan-4-yl)methanone?
The IUPAC name of (2-methyl-2-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-1-yl)-(oxan-4-yl)methanone (CID 110100149) is (2-methyl-2-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-1-yl)-(oxan-4-yl)methanone.
What is the SMILES notation for (2-methyl-2-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-1-yl)-(oxan-4-yl)methanone?
The canonical SMILES for (2-methyl-2-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-1-yl)-(oxan-4-yl)methanone is CC1(c2ccnc3ccnn23)CCCN1C(=O)C1CCOCC1.
What is the InChIKey of (2-methyl-2-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-1-yl)-(oxan-4-yl)methanone?
The InChIKey is AKIPKMZOTHYPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-17(14-3-8-18-15-4-9-19-21(14)15)7-2-10-20(17)16(22)13-5-11-23-12-6-13/h3-4,8-9,13H,2,5-7,10-12H2,1H3.
What are the key properties of (2-methyl-2-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-1-yl)-(oxan-4-yl)methanone?
(2-methyl-2-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-1-yl)-(oxan-4-yl)methanone has a molecular weight of 314.39 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-2-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-1-yl)-(oxan-4-yl)methanone is sourced from PubChem (CID 110100149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).