4-(6-bromo-6-fluoro-3,5-dihydro-2H-indol-1-yl)-6-methylpyrido[3,4-d]pyrimidine

C16H14BrFN4 — CID 70155256

IUPAC4-(6-bromo-6-fluoro-3,5-dihydro-2H-indol-1-yl)-6-methylpyrido[3,4-d]pyrimidine
SMILESCc1cc2c(N3CCC4=CCC(F)(Br)C=C43)ncnc2cn1
InChIInChI=1S/C16H14BrFN4/c1-10-6-12-13(8-19-10)20-9-21-15(12)22-5-3-11-2-4-16(17,18)7-14(11)22/h2,6-9H,3-5H2,1H3
InChIKeyRVLONXXGEFVCCK-UHFFFAOYSA-N
MW361.22 g/mol
LogP3.82
Rot. Bonds1

About 4-(6-bromo-6-fluoro-3,5-dihydro-2H-indol-1-yl)-6-methylpyrido[3,4-d]pyrimidine

4-(6-bromo-6-fluoro-3,5-dihydro-2H-indol-1-yl)-6-methylpyrido[3,4-d]pyrimidine (PubChem CID 70155256) has the molecular formula C16H14BrFN4 and a molecular weight of 361.22 g/mol. Its IUPAC name is 4-(6-bromo-6-fluoro-3,5-dihydro-2H-indol-1-yl)-6-methylpyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-(6-bromo-6-fluoro-3,5-dihydro-2H-indol-1-yl)-6-methylpyrido[3,4-d]pyrimidine
PubChem CID70155256
Molecular FormulaC16H14BrFN4
Molecular Weight361.22 g/mol
Exact Mass360.04
IUPAC Name4-(6-bromo-6-fluoro-3,5-dihydro-2H-indol-1-yl)-6-methylpyrido[3,4-d]pyrimidine
SMILESCc1cc2c(N3CCC4=CCC(F)(Br)C=C43)ncnc2cn1
InChIInChI=1S/C16H14BrFN4/c1-10-6-12-13(8-19-10)20-9-21-15(12)22-5-3-11-2-4-16(17,18)7-14(11)22/h2,6-9H,3-5H2,1H3
InChIKeyRVLONXXGEFVCCK-UHFFFAOYSA-N
XLogP3.82
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.22
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(6-bromo-6-fluoro-3,5-dihydro-2H-indol-1-yl)-6-methylpyrido[3,4-d]pyrimidine?
The IUPAC name of 4-(6-bromo-6-fluoro-3,5-dihydro-2H-indol-1-yl)-6-methylpyrido[3,4-d]pyrimidine (CID 70155256) is 4-(6-bromo-6-fluoro-3,5-dihydro-2H-indol-1-yl)-6-methylpyrido[3,4-d]pyrimidine.
What is the SMILES notation for 4-(6-bromo-6-fluoro-3,5-dihydro-2H-indol-1-yl)-6-methylpyrido[3,4-d]pyrimidine?
The canonical SMILES for 4-(6-bromo-6-fluoro-3,5-dihydro-2H-indol-1-yl)-6-methylpyrido[3,4-d]pyrimidine is Cc1cc2c(N3CCC4=CCC(F)(Br)C=C43)ncnc2cn1.
What is the InChIKey of 4-(6-bromo-6-fluoro-3,5-dihydro-2H-indol-1-yl)-6-methylpyrido[3,4-d]pyrimidine?
The InChIKey is RVLONXXGEFVCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFN4/c1-10-6-12-13(8-19-10)20-9-21-15(12)22-5-3-11-2-4-16(17,18)7-14(11)22/h2,6-9H,3-5H2,1H3.
What are the key properties of 4-(6-bromo-6-fluoro-3,5-dihydro-2H-indol-1-yl)-6-methylpyrido[3,4-d]pyrimidine?
4-(6-bromo-6-fluoro-3,5-dihydro-2H-indol-1-yl)-6-methylpyrido[3,4-d]pyrimidine has a molecular weight of 361.22 g/mol, XLogP of 3.82, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-bromo-6-fluoro-3,5-dihydro-2H-indol-1-yl)-6-methylpyrido[3,4-d]pyrimidine is sourced from PubChem (CID 70155256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).