2-[(2R)-4-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1-(furan-3-ylmethyl)piperazin-2-yl]ethanol

C19H25N5O2 — CID 95873093

IUPAC2-[(2R)-4-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1-(furan-3-ylmethyl)piperazin-2-yl]ethanol
SMILESCc1cc(N2CCN(Cc3ccoc3)[C@H](CCO)C2)n2nc(C)cc2n1
InChIInChI=1S/C19H25N5O2/c1-14-10-19(24-18(20-14)9-15(2)21-24)23-6-5-22(17(12-23)3-7-25)11-16-4-8-26-13-16/h4,8-10,13,17,25H,3,5-7,11-12H2,1-2H3/t17-/m1/s1
InChIKeyZWDGPSZWEDOZJH-QGZVFWFLSA-N
MW355.44 g/mol
LogP2.01
Rot. Bonds5

About 2-[(2R)-4-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1-(furan-3-ylmethyl)piperazin-2-yl]ethanol

2-[(2R)-4-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1-(furan-3-ylmethyl)piperazin-2-yl]ethanol (PubChem CID 95873093) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-[(2R)-4-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1-(furan-3-ylmethyl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2R)-4-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1-(furan-3-ylmethyl)piperazin-2-yl]ethanol
PubChem CID95873093
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name2-[(2R)-4-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1-(furan-3-ylmethyl)piperazin-2-yl]ethanol
SMILESCc1cc(N2CCN(Cc3ccoc3)[C@H](CCO)C2)n2nc(C)cc2n1
InChIInChI=1S/C19H25N5O2/c1-14-10-19(24-18(20-14)9-15(2)21-24)23-6-5-22(17(12-23)3-7-25)11-16-4-8-26-13-16/h4,8-10,13,17,25H,3,5-7,11-12H2,1-2H3/t17-/m1/s1
InChIKeyZWDGPSZWEDOZJH-QGZVFWFLSA-N
XLogP2.01
TPSA70.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1-(furan-3-ylmethyl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[(2R)-4-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1-(furan-3-ylmethyl)piperazin-2-yl]ethanol (CID 95873093) is 2-[(2R)-4-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1-(furan-3-ylmethyl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2R)-4-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1-(furan-3-ylmethyl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2R)-4-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1-(furan-3-ylmethyl)piperazin-2-yl]ethanol is Cc1cc(N2CCN(Cc3ccoc3)[C@H](CCO)C2)n2nc(C)cc2n1.
What is the InChIKey of 2-[(2R)-4-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1-(furan-3-ylmethyl)piperazin-2-yl]ethanol?
The InChIKey is ZWDGPSZWEDOZJH-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-14-10-19(24-18(20-14)9-15(2)21-24)23-6-5-22(17(12-23)3-7-25)11-16-4-8-26-13-16/h4,8-10,13,17,25H,3,5-7,11-12H2,1-2H3/t17-/m1/s1.
What are the key properties of 2-[(2R)-4-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1-(furan-3-ylmethyl)piperazin-2-yl]ethanol?
2-[(2R)-4-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1-(furan-3-ylmethyl)piperazin-2-yl]ethanol has a molecular weight of 355.44 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1-(furan-3-ylmethyl)piperazin-2-yl]ethanol is sourced from PubChem (CID 95873093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).