4-[[(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-cyclopropylamino]methyl]-2-methoxyphenol

C17H18BrN5O2 — CID 133497383

IUPAC4-[[(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-cyclopropylamino]methyl]-2-methoxyphenol
SMILESCOc1cc(CN(c2ncnc3c2c(Br)nn3C)C2CC2)ccc1O
InChIInChI=1S/C17H18BrN5O2/c1-22-16-14(15(18)21-22)17(20-9-19-16)23(11-4-5-11)8-10-3-6-12(24)13(7-10)25-2/h3,6-7,9,11,24H,4-5,8H2,1-2H3
InChIKeyXORVPKIGEFAENE-UHFFFAOYSA-N
MW404.27 g/mol
LogP3.01
Rot. Bonds5

About 4-[[(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-cyclopropylamino]methyl]-2-methoxyphenol

4-[[(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-cyclopropylamino]methyl]-2-methoxyphenol (PubChem CID 133497383) has the molecular formula C17H18BrN5O2 and a molecular weight of 404.27 g/mol. Its IUPAC name is 4-[[(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-cyclopropylamino]methyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[[(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-cyclopropylamino]methyl]-2-methoxyphenol
PubChem CID133497383
Molecular FormulaC17H18BrN5O2
Molecular Weight404.27 g/mol
Exact Mass403.06
IUPAC Name4-[[(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-cyclopropylamino]methyl]-2-methoxyphenol
SMILESCOc1cc(CN(c2ncnc3c2c(Br)nn3C)C2CC2)ccc1O
InChIInChI=1S/C17H18BrN5O2/c1-22-16-14(15(18)21-22)17(20-9-19-16)23(11-4-5-11)8-10-3-6-12(24)13(7-10)25-2/h3,6-7,9,11,24H,4-5,8H2,1-2H3
InChIKeyXORVPKIGEFAENE-UHFFFAOYSA-N
XLogP3.01
TPSA76.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.27
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[[(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-cyclopropylamino]methyl]-2-methoxyphenol 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

4-[[cyclopropyl(pyrimidin-2-yl)amino]methyl]-2-methoxyphenol
CID 133497336
6-[cyclopropyl-[(4-hydroxy-3-methoxyphenyl)methyl]amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137267481
N-cyclopropyl-N-[(4-hydroxy-3-methoxyphenyl)methyl]-4,5-dimethylfuran-2-carboxamide
CID 75435107
6-[cyclopropyl-[(4-hydroxy-3-methoxyphenyl)methyl]amino]-N-phenylpyridazine-3-carboxamide
CID 133497372
4-[[azetidin-3-yl(ethyl)amino]methyl]-2-methoxyphenol
CID 66184417
4-[[cyclopropyl-[(4-pyrazol-1-ylphenyl)methyl]amino]methyl]-2-methoxyphenol
CID 75504406
3-[[cyclopropyl-[(4-hydroxy-3-methoxyphenyl)methyl]amino]methyl]benzoic acid
CID 122033092
2-methoxy-4-[[methyl(pyrrolidin-3-yl)amino]methyl]phenol
CID 63297913
1-cyclopropyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(2-methoxyphenyl)urea
CID 60577311
4-[[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]methyl]-2-methoxyphenol
CID 61233395
4-[[ethyl(pyrrolidin-3-yl)amino]methyl]-2-methoxyphenol
CID 55204759
4-[[3-(diethylamino)propyl-ethylamino]methyl]-2-methoxyphenol
CID 102999096

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-cyclopropylamino]methyl]-2-methoxyphenol?
The IUPAC name of 4-[[(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-cyclopropylamino]methyl]-2-methoxyphenol (CID 133497383) is 4-[[(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-cyclopropylamino]methyl]-2-methoxyphenol.
What is the SMILES notation for 4-[[(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-cyclopropylamino]methyl]-2-methoxyphenol?
The canonical SMILES for 4-[[(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-cyclopropylamino]methyl]-2-methoxyphenol is COc1cc(CN(c2ncnc3c2c(Br)nn3C)C2CC2)ccc1O.
What is the InChIKey of 4-[[(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-cyclopropylamino]methyl]-2-methoxyphenol?
The InChIKey is XORVPKIGEFAENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN5O2/c1-22-16-14(15(18)21-22)17(20-9-19-16)23(11-4-5-11)8-10-3-6-12(24)13(7-10)25-2/h3,6-7,9,11,24H,4-5,8H2,1-2H3.
What are the key properties of 4-[[(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-cyclopropylamino]methyl]-2-methoxyphenol?
4-[[(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-cyclopropylamino]methyl]-2-methoxyphenol has a molecular weight of 404.27 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-cyclopropylamino]methyl]-2-methoxyphenol is sourced from PubChem (CID 133497383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).