(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-[4-(2-hydroxyethyl)-2,5-dimethylpiperazin-1-yl]methanone

C17H25N5O2 — CID 127266078

IUPAC(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-[4-(2-hydroxyethyl)-2,5-dimethylpiperazin-1-yl]methanone
SMILESCc1cc2ncc(C(=O)N3CC(C)N(CCO)CC3C)c(C)n2n1
InChIInChI=1S/C17H25N5O2/c1-11-7-16-18-8-15(14(4)22(16)19-11)17(24)21-10-12(2)20(5-6-23)9-13(21)3/h7-8,12-13,23H,5-6,9-10H2,1-4H3
InChIKeyIPOJSJCOSKBCTE-UHFFFAOYSA-N
MW331.42 g/mol
LogP0.87
Rot. Bonds3

About (2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-[4-(2-hydroxyethyl)-2,5-dimethylpiperazin-1-yl]methanone

(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-[4-(2-hydroxyethyl)-2,5-dimethylpiperazin-1-yl]methanone (PubChem CID 127266078) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is (2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-[4-(2-hydroxyethyl)-2,5-dimethylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-[4-(2-hydroxyethyl)-2,5-dimethylpiperazin-1-yl]methanone
PubChem CID127266078
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-[4-(2-hydroxyethyl)-2,5-dimethylpiperazin-1-yl]methanone
SMILESCc1cc2ncc(C(=O)N3CC(C)N(CCO)CC3C)c(C)n2n1
InChIInChI=1S/C17H25N5O2/c1-11-7-16-18-8-15(14(4)22(16)19-11)17(24)21-10-12(2)20(5-6-23)9-13(21)3/h7-8,12-13,23H,5-6,9-10H2,1-4H3
InChIKeyIPOJSJCOSKBCTE-UHFFFAOYSA-N
XLogP0.87
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-[4-(2-hydroxyethyl)-2,5-dimethylpiperazin-1-yl]methanone?
The IUPAC name of (2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-[4-(2-hydroxyethyl)-2,5-dimethylpiperazin-1-yl]methanone (CID 127266078) is (2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-[4-(2-hydroxyethyl)-2,5-dimethylpiperazin-1-yl]methanone.
What is the SMILES notation for (2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-[4-(2-hydroxyethyl)-2,5-dimethylpiperazin-1-yl]methanone?
The canonical SMILES for (2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-[4-(2-hydroxyethyl)-2,5-dimethylpiperazin-1-yl]methanone is Cc1cc2ncc(C(=O)N3CC(C)N(CCO)CC3C)c(C)n2n1.
What is the InChIKey of (2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-[4-(2-hydroxyethyl)-2,5-dimethylpiperazin-1-yl]methanone?
The InChIKey is IPOJSJCOSKBCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-11-7-16-18-8-15(14(4)22(16)19-11)17(24)21-10-12(2)20(5-6-23)9-13(21)3/h7-8,12-13,23H,5-6,9-10H2,1-4H3.
What are the key properties of (2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-[4-(2-hydroxyethyl)-2,5-dimethylpiperazin-1-yl]methanone?
(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-[4-(2-hydroxyethyl)-2,5-dimethylpiperazin-1-yl]methanone has a molecular weight of 331.42 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-[4-(2-hydroxyethyl)-2,5-dimethylpiperazin-1-yl]methanone is sourced from PubChem (CID 127266078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).