3-bromo-5-(4-phenylmethoxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-7-amine

C18H20BrN5O — CID 71058470

IUPAC3-bromo-5-(4-phenylmethoxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESNc1cc(N2CCC(OCc3ccccc3)CC2)nc2c(Br)cnn12
InChIInChI=1S/C18H20BrN5O/c19-15-11-21-24-16(20)10-17(22-18(15)24)23-8-6-14(7-9-23)25-12-13-4-2-1-3-5-13/h1-5,10-11,14H,6-9,12,20H2
InChIKeyAVUDIKPCTOIYQM-UHFFFAOYSA-N
MW402.30 g/mol
LogP3.26
Rot. Bonds4

About 3-bromo-5-(4-phenylmethoxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-7-amine

3-bromo-5-(4-phenylmethoxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 71058470) has the molecular formula C18H20BrN5O and a molecular weight of 402.30 g/mol. Its IUPAC name is 3-bromo-5-(4-phenylmethoxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-bromo-5-(4-phenylmethoxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID71058470
Molecular FormulaC18H20BrN5O
Molecular Weight402.30 g/mol
Exact Mass401.09
IUPAC Name3-bromo-5-(4-phenylmethoxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESNc1cc(N2CCC(OCc3ccccc3)CC2)nc2c(Br)cnn12
InChIInChI=1S/C18H20BrN5O/c19-15-11-21-24-16(20)10-17(22-18(15)24)23-8-6-14(7-9-23)25-12-13-4-2-1-3-5-13/h1-5,10-11,14H,6-9,12,20H2
InChIKeyAVUDIKPCTOIYQM-UHFFFAOYSA-N
XLogP3.26
TPSA68.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.30
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(4-phenylmethoxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-bromo-5-(4-phenylmethoxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 71058470) is 3-bromo-5-(4-phenylmethoxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-bromo-5-(4-phenylmethoxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-bromo-5-(4-phenylmethoxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-7-amine is Nc1cc(N2CCC(OCc3ccccc3)CC2)nc2c(Br)cnn12.
What is the InChIKey of 3-bromo-5-(4-phenylmethoxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is AVUDIKPCTOIYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN5O/c19-15-11-21-24-16(20)10-17(22-18(15)24)23-8-6-14(7-9-23)25-12-13-4-2-1-3-5-13/h1-5,10-11,14H,6-9,12,20H2.
What are the key properties of 3-bromo-5-(4-phenylmethoxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
3-bromo-5-(4-phenylmethoxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 402.30 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(4-phenylmethoxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 71058470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).