(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C16H17N7O — CID 134794921

IUPAC(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCc1cc2ncc(C(=O)N3CCN(c4ncccn4)CC3)cn2n1
InChIInChI=1S/C16H17N7O/c1-12-9-14-19-10-13(11-23(14)20-12)15(24)21-5-7-22(8-6-21)16-17-3-2-4-18-16/h2-4,9-11H,5-8H2,1H3
InChIKeyLTXKVLUZMPCLBM-UHFFFAOYSA-N
MW323.36 g/mol
LogP0.79
Rot. Bonds2

About (2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 134794921) has the molecular formula C16H17N7O and a molecular weight of 323.36 g/mol. Its IUPAC name is (2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID134794921
Molecular FormulaC16H17N7O
Molecular Weight323.36 g/mol
Exact Mass323.15
IUPAC Name(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCc1cc2ncc(C(=O)N3CCN(c4ncccn4)CC3)cn2n1
InChIInChI=1S/C16H17N7O/c1-12-9-14-19-10-13(11-23(14)20-12)15(24)21-5-7-22(8-6-21)16-17-3-2-4-18-16/h2-4,9-11H,5-8H2,1H3
InChIKeyLTXKVLUZMPCLBM-UHFFFAOYSA-N
XLogP0.79
TPSA79.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 134794921) is (2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is Cc1cc2ncc(C(=O)N3CCN(c4ncccn4)CC3)cn2n1.
What is the InChIKey of (2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is LTXKVLUZMPCLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7O/c1-12-9-14-19-10-13(11-23(14)20-12)15(24)21-5-7-22(8-6-21)16-17-3-2-4-18-16/h2-4,9-11H,5-8H2,1H3.
What are the key properties of (2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 323.36 g/mol, XLogP of 0.79, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 134794921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).