2-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-6-fluoro-3,4-dihydro-1H-isoquinoline

C15H13BrFN5 — CID 133422516

IUPAC2-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-6-fluoro-3,4-dihydro-1H-isoquinoline
SMILESCn1nc(Br)c2c(N3CCc4cc(F)ccc4C3)ncnc21
InChIInChI=1S/C15H13BrFN5/c1-21-14-12(13(16)20-21)15(19-8-18-14)22-5-4-9-6-11(17)3-2-10(9)7-22/h2-3,6,8H,4-5,7H2,1H3
InChIKeyAOYPRTMGIWSHGY-UHFFFAOYSA-N
MW362.21 g/mol
LogP2.83
Rot. Bonds1

About 2-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-6-fluoro-3,4-dihydro-1H-isoquinoline

2-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-6-fluoro-3,4-dihydro-1H-isoquinoline (PubChem CID 133422516) has the molecular formula C15H13BrFN5 and a molecular weight of 362.21 g/mol. Its IUPAC name is 2-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-6-fluoro-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-6-fluoro-3,4-dihydro-1H-isoquinoline
PubChem CID133422516
Molecular FormulaC15H13BrFN5
Molecular Weight362.21 g/mol
Exact Mass361.03
IUPAC Name2-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-6-fluoro-3,4-dihydro-1H-isoquinoline
SMILESCn1nc(Br)c2c(N3CCc4cc(F)ccc4C3)ncnc21
InChIInChI=1S/C15H13BrFN5/c1-21-14-12(13(16)20-21)15(19-8-18-14)22-5-4-9-6-11(17)3-2-10(9)7-22/h2-3,6,8H,4-5,7H2,1H3
InChIKeyAOYPRTMGIWSHGY-UHFFFAOYSA-N
XLogP2.83
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.21
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-6-fluoro-3,4-dihydro-1H-isoquinoline with MolForge

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Related Compounds

2-(6-ethyl-5-fluoropyrimidin-4-yl)-6-fluoro-3,4-dihydro-1H-isoquinoline
CID 133422469
3-bromo-4-[4-[(3,4-difluorophenyl)methyl]piperidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
CID 133480597
4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-6-methylthieno[2,3-d]pyrimidine
CID 133422341
2-(5-bromo-3-nitro-2-pyridinyl)-6-fluoro-3,4-dihydro-1H-isoquinoline
CID 133422402
4-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-2-(furan-2-yl)morpholine
CID 133347170
3-bromo-1-methyl-4-[4-(3-methylbutyl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 133380766
2-[1-[4-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]-1,3-thiazole
CID 133476702
2-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 133422453
2-(6-chloro-2-methylpyrimidin-4-yl)-6-fluoro-3,4-dihydro-1H-isoquinoline
CID 133422510
4-[1-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]oxypyridine-2-carboxamide
CID 133444242
(2S)-2-[4-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 96541906
6-fluoro-2-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-3,4-dihydro-1H-isoquinoline
CID 133422395

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-6-fluoro-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-6-fluoro-3,4-dihydro-1H-isoquinoline (CID 133422516) is 2-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-6-fluoro-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-6-fluoro-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-6-fluoro-3,4-dihydro-1H-isoquinoline is Cn1nc(Br)c2c(N3CCc4cc(F)ccc4C3)ncnc21.
What is the InChIKey of 2-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-6-fluoro-3,4-dihydro-1H-isoquinoline?
The InChIKey is AOYPRTMGIWSHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFN5/c1-21-14-12(13(16)20-21)15(19-8-18-14)22-5-4-9-6-11(17)3-2-10(9)7-22/h2-3,6,8H,4-5,7H2,1H3.
What are the key properties of 2-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-6-fluoro-3,4-dihydro-1H-isoquinoline?
2-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-6-fluoro-3,4-dihydro-1H-isoquinoline has a molecular weight of 362.21 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-6-fluoro-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 133422516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).