3-phenyl-6-[1-(3-piperidin-1-ylpropyl)-2H-pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidine

C24H28N6 — CID 70120771

IUPAC3-phenyl-6-[1-(3-piperidin-1-ylpropyl)-2H-pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidine
SMILESC1=CN(CCCN2CCCCC2)CN=C1c1cnc2c(-c3ccccc3)cnn2c1
InChIInChI=1S/C24H28N6/c1-3-8-20(9-4-1)22-17-27-30-18-21(16-25-24(22)30)23-10-15-29(19-26-23)14-7-13-28-11-5-2-6-12-28/h1,3-4,8-10,15-18H,2,5-7,11-14,19H2
InChIKeyHVMKEEQCFOQUDM-UHFFFAOYSA-N
MW400.53 g/mol
LogP3.85
Rot. Bonds6

About 3-phenyl-6-[1-(3-piperidin-1-ylpropyl)-2H-pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidine

3-phenyl-6-[1-(3-piperidin-1-ylpropyl)-2H-pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidine (PubChem CID 70120771) has the molecular formula C24H28N6 and a molecular weight of 400.53 g/mol. Its IUPAC name is 3-phenyl-6-[1-(3-piperidin-1-ylpropyl)-2H-pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-phenyl-6-[1-(3-piperidin-1-ylpropyl)-2H-pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidine
PubChem CID70120771
Molecular FormulaC24H28N6
Molecular Weight400.53 g/mol
Exact Mass400.24
IUPAC Name3-phenyl-6-[1-(3-piperidin-1-ylpropyl)-2H-pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidine
SMILESC1=CN(CCCN2CCCCC2)CN=C1c1cnc2c(-c3ccccc3)cnn2c1
InChIInChI=1S/C24H28N6/c1-3-8-20(9-4-1)22-17-27-30-18-21(16-25-24(22)30)23-10-15-29(19-26-23)14-7-13-28-11-5-2-6-12-28/h1,3-4,8-10,15-18H,2,5-7,11-14,19H2
InChIKeyHVMKEEQCFOQUDM-UHFFFAOYSA-N
XLogP3.85
TPSA49.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-6-[1-(3-piperidin-1-ylpropyl)-2H-pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-phenyl-6-[1-(3-piperidin-1-ylpropyl)-2H-pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidine (CID 70120771) is 3-phenyl-6-[1-(3-piperidin-1-ylpropyl)-2H-pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-phenyl-6-[1-(3-piperidin-1-ylpropyl)-2H-pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-phenyl-6-[1-(3-piperidin-1-ylpropyl)-2H-pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidine is C1=CN(CCCN2CCCCC2)CN=C1c1cnc2c(-c3ccccc3)cnn2c1.
What is the InChIKey of 3-phenyl-6-[1-(3-piperidin-1-ylpropyl)-2H-pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is HVMKEEQCFOQUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6/c1-3-8-20(9-4-1)22-17-27-30-18-21(16-25-24(22)30)23-10-15-29(19-26-23)14-7-13-28-11-5-2-6-12-28/h1,3-4,8-10,15-18H,2,5-7,11-14,19H2.
What are the key properties of 3-phenyl-6-[1-(3-piperidin-1-ylpropyl)-2H-pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidine?
3-phenyl-6-[1-(3-piperidin-1-ylpropyl)-2H-pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 400.53 g/mol, XLogP of 3.85, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-6-[1-(3-piperidin-1-ylpropyl)-2H-pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 70120771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).