3-bromo-N-[5-(furan-2-yl)-2-methoxyphenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine

C16H12BrN5O2 — CID 121487957

IUPAC3-bromo-N-[5-(furan-2-yl)-2-methoxyphenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1ccc(-c2ccco2)cc1Nc1ncnc2n[nH]c(Br)c12
InChIInChI=1S/C16H12BrN5O2/c1-23-12-5-4-9(11-3-2-6-24-11)7-10(12)20-15-13-14(17)21-22-16(13)19-8-18-15/h2-8H,1H3,(H2,18,19,20,21,22)
InChIKeyLMVRVQFGNSJYSJ-UHFFFAOYSA-N
MW386.21 g/mol
LogP4.13
Rot. Bonds4

About 3-bromo-N-[5-(furan-2-yl)-2-methoxyphenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine

3-bromo-N-[5-(furan-2-yl)-2-methoxyphenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 121487957) has the molecular formula C16H12BrN5O2 and a molecular weight of 386.21 g/mol. Its IUPAC name is 3-bromo-N-[5-(furan-2-yl)-2-methoxyphenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-bromo-N-[5-(furan-2-yl)-2-methoxyphenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID121487957
Molecular FormulaC16H12BrN5O2
Molecular Weight386.21 g/mol
Exact Mass385.02
IUPAC Name3-bromo-N-[5-(furan-2-yl)-2-methoxyphenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1ccc(-c2ccco2)cc1Nc1ncnc2n[nH]c(Br)c12
InChIInChI=1S/C16H12BrN5O2/c1-23-12-5-4-9(11-3-2-6-24-11)7-10(12)20-15-13-14(17)21-22-16(13)19-8-18-15/h2-8H,1H3,(H2,18,19,20,21,22)
InChIKeyLMVRVQFGNSJYSJ-UHFFFAOYSA-N
XLogP4.13
TPSA88.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.21
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

fluoromethane;3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N-(2-methoxy-5-phenylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 145388033
3-cyclopenta-1,4-dien-1-yl-N-(2-methoxy-5-phenylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-2-yl)-N-(2-methoxy-5-phenylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-methoxy-5-phenylphenyl)-3-(1H-pyrrol-2-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-methoxy-5-phenylphenyl)-3-thiophen-2-yl-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 160780917
N-(2-methoxy-5-pyridin-2-ylphenyl)-3-(2H-pyrrol-5-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 162176008
1-[3-[4-[5-(furan-2-yl)-2-methoxyanilino]-7-methoxyquinazolin-6-yl]oxyazetidin-1-yl]prop-2-en-1-one
CID 166086290
3-(furan-2-yl)-N-[2-methoxy-5-(2-methylpyrazol-3-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-2-yl)-N-[2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-2-yl)-N-[2-methoxy-5-(3-methylthiophen-2-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-3-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 160648905
1-[3-[4-[5-(furan-2-yl)-2-methoxyanilino]-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one
CID 166086281
2-fluoro-1-[4-[4-[5-(furan-2-yl)-2-methoxyanilino]-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one
CID 166086190
2-[4-(furan-2-yl)-2-methoxyphenoxy]acetamide
CID 168526436
1-[2-[4-[5-(furan-2-yl)-2-methoxyanilino]-7-methoxyquinazolin-6-yl]oxy-6-azaspiro[3.4]octan-6-yl]prop-2-en-1-one
CID 166086267
4-N-(2,5-dimethoxyphenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,5,6-triamine
CID 19142691
3-[(8aS)-1,7,8,8a-tetrahydronaphthalen-1-yl]-N-(2-methoxy-5-phenylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 163890856
N-[4-(furan-2-yl)-2-methoxyphenyl]-2-methoxyacetamide
CID 168524887

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[5-(furan-2-yl)-2-methoxyphenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-bromo-N-[5-(furan-2-yl)-2-methoxyphenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine (CID 121487957) is 3-bromo-N-[5-(furan-2-yl)-2-methoxyphenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-bromo-N-[5-(furan-2-yl)-2-methoxyphenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-bromo-N-[5-(furan-2-yl)-2-methoxyphenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine is COc1ccc(-c2ccco2)cc1Nc1ncnc2n[nH]c(Br)c12.
What is the InChIKey of 3-bromo-N-[5-(furan-2-yl)-2-methoxyphenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is LMVRVQFGNSJYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN5O2/c1-23-12-5-4-9(11-3-2-6-24-11)7-10(12)20-15-13-14(17)21-22-16(13)19-8-18-15/h2-8H,1H3,(H2,18,19,20,21,22).
What are the key properties of 3-bromo-N-[5-(furan-2-yl)-2-methoxyphenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
3-bromo-N-[5-(furan-2-yl)-2-methoxyphenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 386.21 g/mol, XLogP of 4.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[5-(furan-2-yl)-2-methoxyphenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 121487957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).