4-[1-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]-6-methylpyrimidin-2-amine

C30H27FN6 — CID 50938829

IUPAC4-[1-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]-6-methylpyrimidin-2-amine
SMILESCc1cc(-c2ccc3c(c2)N(c2c(C)c(-c4ccccn4)nc4cc(F)ccc24)CC3(C)C)nc(N)n1
InChIInChI=1S/C30H27FN6/c1-17-13-24(36-29(32)34-17)19-8-11-22-26(14-19)37(16-30(22,3)4)28-18(2)27(23-7-5-6-12-33-23)35-25-15-20(31)9-10-21(25)28/h5-15H,16H2,1-4H3,(H2,32,34,36)
InChIKeyQYVBQWFPPJZFHA-UHFFFAOYSA-N
MW490.59 g/mol
LogP6.52
Rot. Bonds3

About 4-[1-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]-6-methylpyrimidin-2-amine

4-[1-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]-6-methylpyrimidin-2-amine (PubChem CID 50938829) has the molecular formula C30H27FN6 and a molecular weight of 490.59 g/mol. Its IUPAC name is 4-[1-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[1-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]-6-methylpyrimidin-2-amine
PubChem CID50938829
Molecular FormulaC30H27FN6
Molecular Weight490.59 g/mol
Exact Mass490.23
IUPAC Name4-[1-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]-6-methylpyrimidin-2-amine
SMILESCc1cc(-c2ccc3c(c2)N(c2c(C)c(-c4ccccn4)nc4cc(F)ccc24)CC3(C)C)nc(N)n1
InChIInChI=1S/C30H27FN6/c1-17-13-24(36-29(32)34-17)19-8-11-22-26(14-19)37(16-30(22,3)4)28-18(2)27(23-7-5-6-12-33-23)35-25-15-20(31)9-10-21(25)28/h5-15H,16H2,1-4H3,(H2,32,34,36)
InChIKeyQYVBQWFPPJZFHA-UHFFFAOYSA-N
XLogP6.52
TPSA80.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.59
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]-6-methylpyrimidin-2-amine?
The IUPAC name of 4-[1-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]-6-methylpyrimidin-2-amine (CID 50938829) is 4-[1-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-[1-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-[1-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]-6-methylpyrimidin-2-amine is Cc1cc(-c2ccc3c(c2)N(c2c(C)c(-c4ccccn4)nc4cc(F)ccc24)CC3(C)C)nc(N)n1.
What is the InChIKey of 4-[1-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]-6-methylpyrimidin-2-amine?
The InChIKey is QYVBQWFPPJZFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27FN6/c1-17-13-24(36-29(32)34-17)19-8-11-22-26(14-19)37(16-30(22,3)4)28-18(2)27(23-7-5-6-12-33-23)35-25-15-20(31)9-10-21(25)28/h5-15H,16H2,1-4H3,(H2,32,34,36).
What are the key properties of 4-[1-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]-6-methylpyrimidin-2-amine?
4-[1-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]-6-methylpyrimidin-2-amine has a molecular weight of 490.59 g/mol, XLogP of 6.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]-6-methylpyrimidin-2-amine is sourced from PubChem (CID 50938829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).