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

C28H24FN7 — CID 50939080

IUPAC4-[1-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]pyrimidin-2-amine
SMILESCc1c(-c2ccccn2)nc2cc(F)ccc2c1N1CC(C)(C)c2ncc(-c3ccnc(N)n3)cc21
InChIInChI=1S/C28H24FN7/c1-16-24(21-6-4-5-10-31-21)34-22-13-18(29)7-8-19(22)25(16)36-15-28(2,3)26-23(36)12-17(14-33-26)20-9-11-32-27(30)35-20/h4-14H,15H2,1-3H3,(H2,30,32,35)
InChIKeyIHXYNQCIZAQJGQ-UHFFFAOYSA-N
MW477.55 g/mol
LogP5.61
Rot. Bonds3

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

4-[1-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]pyrimidin-2-amine (PubChem CID 50939080) has the molecular formula C28H24FN7 and a molecular weight of 477.55 g/mol. Its IUPAC name is 4-[1-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[1-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]pyrimidin-2-amine
PubChem CID50939080
Molecular FormulaC28H24FN7
Molecular Weight477.55 g/mol
Exact Mass477.21
IUPAC Name4-[1-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]pyrimidin-2-amine
SMILESCc1c(-c2ccccn2)nc2cc(F)ccc2c1N1CC(C)(C)c2ncc(-c3ccnc(N)n3)cc21
InChIInChI=1S/C28H24FN7/c1-16-24(21-6-4-5-10-31-21)34-22-13-18(29)7-8-19(22)25(16)36-15-28(2,3)26-23(36)12-17(14-33-26)20-9-11-32-27(30)35-20/h4-14H,15H2,1-3H3,(H2,30,32,35)
InChIKeyIHXYNQCIZAQJGQ-UHFFFAOYSA-N
XLogP5.61
TPSA93.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.55
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[1-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]pyrimidin-2-amine with MolForge

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Related Compounds

Imiquimod
CID 57469
2-Amino-3-methylimidazo(4,5-f)quinoline
CID 53462
2-Amino-3,4-dimethylimidazo(4,5-f)quinoline
CID 62274
(alphaS)-7-Fluoro-alpha-methyl-N-9H-purin-6-yl-2-(2-pyridinyl)-3-quinolinemethanamine
CID 68947304
Florquinitau
CID 118577045
Panulisib
CID 56947515
4-(7-((Dimethylamino)methyl)-2-(4-fluorophenyl)imidazo(1,2-a)pyridin-3-yl)pyrimidin-2-amine
CID 10133248
N2-methyl-N4-(pyrimidin-2-ylmethyl)-5-(quinolin-6-yl)-7H-pyrrolo(2,3-d)pyrimidine-2,4-diamine
CID 133082038
2-(6-methylpyridin-2-yl)-N-(pyridin-4-yl)quinazolin-4-amine
CID 10267580
(7R,8R)-8-(2,4,5-trifluorophenyl)-6,7,8,9-tetrahydroimidazo(1,2-a:4,5-c')dipyridin-7-amine
CID 15953860
4-[7-(4-fluorophenyl)-5H-pyrrolo[3,2-d]pyrimidin-6-yl]pyridine
CID 11098241
3-[cis-3-(4-Methylpiperazin-1-yl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 16214946

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-pyrrolo[3,2-b]pyridin-6-yl]pyrimidin-2-amine?
The IUPAC name of 4-[1-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]pyrimidin-2-amine (CID 50939080) is 4-[1-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[1-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[1-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]pyrimidin-2-amine is Cc1c(-c2ccccn2)nc2cc(F)ccc2c1N1CC(C)(C)c2ncc(-c3ccnc(N)n3)cc21.
What is the InChIKey of 4-[1-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]pyrimidin-2-amine?
The InChIKey is IHXYNQCIZAQJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24FN7/c1-16-24(21-6-4-5-10-31-21)34-22-13-18(29)7-8-19(22)25(16)36-15-28(2,3)26-23(36)12-17(14-33-26)20-9-11-32-27(30)35-20/h4-14H,15H2,1-3H3,(H2,30,32,35).
What are the key properties of 4-[1-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]pyrimidin-2-amine?
4-[1-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]pyrimidin-2-amine has a molecular weight of 477.55 g/mol, XLogP of 5.61, 3 rotatable bonds, 1 hydrogen bond donors, and 7 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-pyrrolo[3,2-b]pyridin-6-yl]pyrimidin-2-amine is sourced from PubChem (CID 50939080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).