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

C28H20F4N6O — CID 46220613

IUPAC4-amino-2-[6-(2-fluorophenyl)-3-[(2,3,6-trifluorophenyl)methyl]imidazo[1,5-a]pyridin-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCC1(C)C(=O)Nc2nc(-c3nc(Cc4c(F)ccc(F)c4F)n4cc(-c5ccccc5F)ccc34)nc(N)c21
InChIInChI=1S/C28H20F4N6O/c1-28(2)21-24(33)35-26(36-25(21)37-27(28)39)23-19-10-7-13(14-5-3-4-6-16(14)29)12-38(19)20(34-23)11-15-17(30)8-9-18(31)22(15)32/h3-10,12H,11H2,1-2H3,(H3,33,35,36,37,39)
InChIKeySFRGGGZRQPQSGO-UHFFFAOYSA-N
MW532.50 g/mol
LogP5.42
Rot. Bonds4

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

4-amino-2-[6-(2-fluorophenyl)-3-[(2,3,6-trifluorophenyl)methyl]imidazo[1,5-a]pyridin-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 46220613) has the molecular formula C28H20F4N6O and a molecular weight of 532.50 g/mol. Its IUPAC name is 4-amino-2-[6-(2-fluorophenyl)-3-[(2,3,6-trifluorophenyl)methyl]imidazo[1,5-a]pyridin-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-[6-(2-fluorophenyl)-3-[(2,3,6-trifluorophenyl)methyl]imidazo[1,5-a]pyridin-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
PubChem CID46220613
Molecular FormulaC28H20F4N6O
Molecular Weight532.50 g/mol
Exact Mass532.16
IUPAC Name4-amino-2-[6-(2-fluorophenyl)-3-[(2,3,6-trifluorophenyl)methyl]imidazo[1,5-a]pyridin-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCC1(C)C(=O)Nc2nc(-c3nc(Cc4c(F)ccc(F)c4F)n4cc(-c5ccccc5F)ccc34)nc(N)c21
InChIInChI=1S/C28H20F4N6O/c1-28(2)21-24(33)35-26(36-25(21)37-27(28)39)23-19-10-7-13(14-5-3-4-6-16(14)29)12-38(19)20(34-23)11-15-17(30)8-9-18(31)22(15)32/h3-10,12H,11H2,1-2H3,(H3,33,35,36,37,39)
InChIKeySFRGGGZRQPQSGO-UHFFFAOYSA-N
XLogP5.42
TPSA98.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.50
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 4-amino-2-[6-(2-fluorophenyl)-3-[(2,3,6-trifluorophenyl)methyl]imidazo[1,5-a]pyridin-1-yl]-5,5-dimethyl-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-(2-fluorophenyl)-3-[(2,3,6-trifluorophenyl)methyl]imidazo[1,5-a]pyridin-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 4-amino-2-[6-(2-fluorophenyl)-3-[(2,3,6-trifluorophenyl)methyl]imidazo[1,5-a]pyridin-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one (CID 46220613) is 4-amino-2-[6-(2-fluorophenyl)-3-[(2,3,6-trifluorophenyl)methyl]imidazo[1,5-a]pyridin-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-[6-(2-fluorophenyl)-3-[(2,3,6-trifluorophenyl)methyl]imidazo[1,5-a]pyridin-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 4-amino-2-[6-(2-fluorophenyl)-3-[(2,3,6-trifluorophenyl)methyl]imidazo[1,5-a]pyridin-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one is CC1(C)C(=O)Nc2nc(-c3nc(Cc4c(F)ccc(F)c4F)n4cc(-c5ccccc5F)ccc34)nc(N)c21.
What is the InChIKey of 4-amino-2-[6-(2-fluorophenyl)-3-[(2,3,6-trifluorophenyl)methyl]imidazo[1,5-a]pyridin-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is SFRGGGZRQPQSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20F4N6O/c1-28(2)21-24(33)35-26(36-25(21)37-27(28)39)23-19-10-7-13(14-5-3-4-6-16(14)29)12-38(19)20(34-23)11-15-17(30)8-9-18(31)22(15)32/h3-10,12H,11H2,1-2H3,(H3,33,35,36,37,39).
What are the key properties of 4-amino-2-[6-(2-fluorophenyl)-3-[(2,3,6-trifluorophenyl)methyl]imidazo[1,5-a]pyridin-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one?
4-amino-2-[6-(2-fluorophenyl)-3-[(2,3,6-trifluorophenyl)methyl]imidazo[1,5-a]pyridin-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 532.50 g/mol, XLogP of 5.42, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[6-(2-fluorophenyl)-3-[(2,3,6-trifluorophenyl)methyl]imidazo[1,5-a]pyridin-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 46220613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).