(7-amino-2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-piperidin-4-ylmethanone

C13H17N5O — CID 110085486

IUPAC(7-amino-2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-piperidin-4-ylmethanone
SMILESCc1cc2ncc(C(=O)C3CCNCC3)c(N)n2n1
InChIInChI=1S/C13H17N5O/c1-8-6-11-16-7-10(13(14)18(11)17-8)12(19)9-2-4-15-5-3-9/h6-7,9,15H,2-5,14H2,1H3
InChIKeyGPZNULIHYXQVSZ-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.80
Rot. Bonds2

About (7-amino-2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-piperidin-4-ylmethanone

(7-amino-2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-piperidin-4-ylmethanone (PubChem CID 110085486) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is (7-amino-2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-piperidin-4-ylmethanone.

Molecular Properties

Compound Name(7-amino-2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-piperidin-4-ylmethanone
PubChem CID110085486
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name(7-amino-2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-piperidin-4-ylmethanone
SMILESCc1cc2ncc(C(=O)C3CCNCC3)c(N)n2n1
InChIInChI=1S/C13H17N5O/c1-8-6-11-16-7-10(13(14)18(11)17-8)12(19)9-2-4-15-5-3-9/h6-7,9,15H,2-5,14H2,1H3
InChIKeyGPZNULIHYXQVSZ-UHFFFAOYSA-N
XLogP0.80
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (7-amino-2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-piperidin-4-ylmethanone?
The IUPAC name of (7-amino-2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-piperidin-4-ylmethanone (CID 110085486) is (7-amino-2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-piperidin-4-ylmethanone.
What is the SMILES notation for (7-amino-2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-piperidin-4-ylmethanone?
The canonical SMILES for (7-amino-2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-piperidin-4-ylmethanone is Cc1cc2ncc(C(=O)C3CCNCC3)c(N)n2n1.
What is the InChIKey of (7-amino-2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-piperidin-4-ylmethanone?
The InChIKey is GPZNULIHYXQVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-8-6-11-16-7-10(13(14)18(11)17-8)12(19)9-2-4-15-5-3-9/h6-7,9,15H,2-5,14H2,1H3.
What are the key properties of (7-amino-2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-piperidin-4-ylmethanone?
(7-amino-2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-piperidin-4-ylmethanone has a molecular weight of 259.31 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7-amino-2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-piperidin-4-ylmethanone is sourced from PubChem (CID 110085486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).