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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[4-[4-(Diphenylmethoxy)piperidino]butylamino][1,2,4]triazolo[4,3-b]pyridazine
CID 15524151
2-(4-Phenylmethoxypiperidin-1-yl)-6-pyrazol-1-ylpyrazine
CID 45833630
(2R)-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-2-phenylmorpholine
CID 36722989
N-[(2S*,4R*,6S*)-2-(2-phenylethyl)-6-pyrazolo[1,5-a]pyrimidin-3-yltetrahydro-2H-pyran-4-yl]acetamide
CID 50979623
(2R)-4-(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)-2-phenylmorpholine
CID 95893782
3-[4-[(2R)-2-phenylmorpholin-4-yl]pyrazolo[5,4-d]pyrimidin-1-yl]propanenitrile
CID 97847298
6-[(2S)-2-benzylmorpholin-4-yl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 171359434
(4-methylphenyl)methyl (3S,4R)-3-fluoro-4-[(pyrazolo[1,5-a]pyrimidin-5-ylamino)methyl]piperidine-1-carboxylate
CID 121415389
N-(1-aminoethylidene)-4-[[8-[(4-fluorophenyl)-methoxymethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]piperidine-1-carbothioamide
CID 123726844
8-(3-Fluoro-2-phenylmethoxypropyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 130427717
1-[4-[(R)-(2,6-difluorophenyl)-fluoromethoxy]cyclohexyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 140072355
1-[4-[(S)-(2,6-difluorophenyl)-fluoromethoxy]cyclohexyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 140072364

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).