2-[5-[1-(2-cyclopropyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]pyrazol-1-yl]ethanol

C25H27N5OS — CID 133280146

IUPAC2-[5-[1-(2-cyclopropyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]pyrazol-1-yl]ethanol
SMILESOCCn1nccc1C1CCN(c2nc(C3CC3)nc3scc(-c4ccccc4)c23)CC1
InChIInChI=1S/C25H27N5OS/c31-15-14-30-21(8-11-26-30)18-9-12-29(13-10-18)24-22-20(17-4-2-1-3-5-17)16-32-25(22)28-23(27-24)19-6-7-19/h1-5,8,11,16,18-19,31H,6-7,9-10,12-15H2
InChIKeyMTSPDCLBVUMTHD-UHFFFAOYSA-N
MW445.59 g/mol
LogP4.81
Rot. Bonds6

About 2-[5-[1-(2-cyclopropyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]pyrazol-1-yl]ethanol

2-[5-[1-(2-cyclopropyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]pyrazol-1-yl]ethanol (PubChem CID 133280146) has the molecular formula C25H27N5OS and a molecular weight of 445.59 g/mol. Its IUPAC name is 2-[5-[1-(2-cyclopropyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-[1-(2-cyclopropyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]pyrazol-1-yl]ethanol
PubChem CID133280146
Molecular FormulaC25H27N5OS
Molecular Weight445.59 g/mol
Exact Mass445.19
IUPAC Name2-[5-[1-(2-cyclopropyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]pyrazol-1-yl]ethanol
SMILESOCCn1nccc1C1CCN(c2nc(C3CC3)nc3scc(-c4ccccc4)c23)CC1
InChIInChI=1S/C25H27N5OS/c31-15-14-30-21(8-11-26-30)18-9-12-29(13-10-18)24-22-20(17-4-2-1-3-5-17)16-32-25(22)28-23(27-24)19-6-7-19/h1-5,8,11,16,18-19,31H,6-7,9-10,12-15H2
InChIKeyMTSPDCLBVUMTHD-UHFFFAOYSA-N
XLogP4.81
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.59
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[1-(2-cyclopropyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[5-[1-(2-cyclopropyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]pyrazol-1-yl]ethanol (CID 133280146) is 2-[5-[1-(2-cyclopropyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-[1-(2-cyclopropyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-[1-(2-cyclopropyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]pyrazol-1-yl]ethanol is OCCn1nccc1C1CCN(c2nc(C3CC3)nc3scc(-c4ccccc4)c23)CC1.
What is the InChIKey of 2-[5-[1-(2-cyclopropyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]pyrazol-1-yl]ethanol?
The InChIKey is MTSPDCLBVUMTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5OS/c31-15-14-30-21(8-11-26-30)18-9-12-29(13-10-18)24-22-20(17-4-2-1-3-5-17)16-32-25(22)28-23(27-24)19-6-7-19/h1-5,8,11,16,18-19,31H,6-7,9-10,12-15H2.
What are the key properties of 2-[5-[1-(2-cyclopropyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]pyrazol-1-yl]ethanol?
2-[5-[1-(2-cyclopropyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]pyrazol-1-yl]ethanol has a molecular weight of 445.59 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[1-(2-cyclopropyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 133280146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).