2-methyl-5-propan-2-yl-7-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidine

C19H24N6O — CID 56906033

IUPAC2-methyl-5-propan-2-yl-7-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidine
SMILESCc1cc2nc(C(C)C)cc(N3CCC(Oc4ncccn4)CC3)n2n1
InChIInChI=1S/C19H24N6O/c1-13(2)16-12-18(25-17(22-16)11-14(3)23-25)24-9-5-15(6-10-24)26-19-20-7-4-8-21-19/h4,7-8,11-13,15H,5-6,9-10H2,1-3H3
InChIKeyVINAJFCYDCYGKA-UHFFFAOYSA-N
MW352.44 g/mol
LogP3.00
Rot. Bonds4

About 2-methyl-5-propan-2-yl-7-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidine

2-methyl-5-propan-2-yl-7-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidine (PubChem CID 56906033) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is 2-methyl-5-propan-2-yl-7-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-methyl-5-propan-2-yl-7-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidine
PubChem CID56906033
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name2-methyl-5-propan-2-yl-7-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidine
SMILESCc1cc2nc(C(C)C)cc(N3CCC(Oc4ncccn4)CC3)n2n1
InChIInChI=1S/C19H24N6O/c1-13(2)16-12-18(25-17(22-16)11-14(3)23-25)24-9-5-15(6-10-24)26-19-20-7-4-8-21-19/h4,7-8,11-13,15H,5-6,9-10H2,1-3H3
InChIKeyVINAJFCYDCYGKA-UHFFFAOYSA-N
XLogP3.00
TPSA68.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-propan-2-yl-7-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-methyl-5-propan-2-yl-7-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidine (CID 56906033) is 2-methyl-5-propan-2-yl-7-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-methyl-5-propan-2-yl-7-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-methyl-5-propan-2-yl-7-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidine is Cc1cc2nc(C(C)C)cc(N3CCC(Oc4ncccn4)CC3)n2n1.
What is the InChIKey of 2-methyl-5-propan-2-yl-7-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is VINAJFCYDCYGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O/c1-13(2)16-12-18(25-17(22-16)11-14(3)23-25)24-9-5-15(6-10-24)26-19-20-7-4-8-21-19/h4,7-8,11-13,15H,5-6,9-10H2,1-3H3.
What are the key properties of 2-methyl-5-propan-2-yl-7-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidine?
2-methyl-5-propan-2-yl-7-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 352.44 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-propan-2-yl-7-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 56906033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).