4-amino-2-[6-fluoro-3-(4,4,4-trifluorobutyl)imidazo[1,5-a]pyridin-1-yl]-5-methyl-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-one

C24H20F4N6O — CID 89438500

IUPAC4-amino-2-[6-fluoro-3-(4,4,4-trifluorobutyl)imidazo[1,5-a]pyridin-1-yl]-5-methyl-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCC1(c2ccccc2)C(=O)Nc2nc(-c3nc(CCCC(F)(F)F)n4cc(F)ccc34)nc(N)c21
InChIInChI=1S/C24H20F4N6O/c1-23(13-6-3-2-4-7-13)17-19(29)31-21(32-20(17)33-22(23)35)18-15-10-9-14(25)12-34(15)16(30-18)8-5-11-24(26,27)28/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H3,29,31,32,33,35)
InChIKeyZTMMRJNEIJRVIF-UHFFFAOYSA-N
MW484.46 g/mol
LogP4.66
Rot. Bonds5

About 4-amino-2-[6-fluoro-3-(4,4,4-trifluorobutyl)imidazo[1,5-a]pyridin-1-yl]-5-methyl-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-one

4-amino-2-[6-fluoro-3-(4,4,4-trifluorobutyl)imidazo[1,5-a]pyridin-1-yl]-5-methyl-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 89438500) has the molecular formula C24H20F4N6O and a molecular weight of 484.46 g/mol. Its IUPAC name is 4-amino-2-[6-fluoro-3-(4,4,4-trifluorobutyl)imidazo[1,5-a]pyridin-1-yl]-5-methyl-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-[6-fluoro-3-(4,4,4-trifluorobutyl)imidazo[1,5-a]pyridin-1-yl]-5-methyl-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
PubChem CID89438500
Molecular FormulaC24H20F4N6O
Molecular Weight484.46 g/mol
Exact Mass484.16
IUPAC Name4-amino-2-[6-fluoro-3-(4,4,4-trifluorobutyl)imidazo[1,5-a]pyridin-1-yl]-5-methyl-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCC1(c2ccccc2)C(=O)Nc2nc(-c3nc(CCCC(F)(F)F)n4cc(F)ccc34)nc(N)c21
InChIInChI=1S/C24H20F4N6O/c1-23(13-6-3-2-4-7-13)17-19(29)31-21(32-20(17)33-22(23)35)18-15-10-9-14(25)12-34(15)16(30-18)8-5-11-24(26,27)28/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H3,29,31,32,33,35)
InChIKeyZTMMRJNEIJRVIF-UHFFFAOYSA-N
XLogP4.66
TPSA98.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.46
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-amino-2-[6-fluoro-3-(4,4,4-trifluorobutyl)imidazo[1,5-a]pyridin-1-yl]-5-methyl-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[6-fluoro-3-(4,4,4-trifluorobutyl)imidazo[1,5-a]pyridin-1-yl]-5-methyl-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 4-amino-2-[6-fluoro-3-(4,4,4-trifluorobutyl)imidazo[1,5-a]pyridin-1-yl]-5-methyl-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-one (CID 89438500) is 4-amino-2-[6-fluoro-3-(4,4,4-trifluorobutyl)imidazo[1,5-a]pyridin-1-yl]-5-methyl-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-[6-fluoro-3-(4,4,4-trifluorobutyl)imidazo[1,5-a]pyridin-1-yl]-5-methyl-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 4-amino-2-[6-fluoro-3-(4,4,4-trifluorobutyl)imidazo[1,5-a]pyridin-1-yl]-5-methyl-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-one is CC1(c2ccccc2)C(=O)Nc2nc(-c3nc(CCCC(F)(F)F)n4cc(F)ccc34)nc(N)c21.
What is the InChIKey of 4-amino-2-[6-fluoro-3-(4,4,4-trifluorobutyl)imidazo[1,5-a]pyridin-1-yl]-5-methyl-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is ZTMMRJNEIJRVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F4N6O/c1-23(13-6-3-2-4-7-13)17-19(29)31-21(32-20(17)33-22(23)35)18-15-10-9-14(25)12-34(15)16(30-18)8-5-11-24(26,27)28/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H3,29,31,32,33,35).
What are the key properties of 4-amino-2-[6-fluoro-3-(4,4,4-trifluorobutyl)imidazo[1,5-a]pyridin-1-yl]-5-methyl-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-one?
4-amino-2-[6-fluoro-3-(4,4,4-trifluorobutyl)imidazo[1,5-a]pyridin-1-yl]-5-methyl-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 484.46 g/mol, XLogP of 4.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[6-fluoro-3-(4,4,4-trifluorobutyl)imidazo[1,5-a]pyridin-1-yl]-5-methyl-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 89438500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).