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

C27H21FN6O — CID 54675552

IUPAC4-amino-2-[3-[(2-fluorophenyl)methyl]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(Cc4ccccc4F)n4ccccc34)nc(N)c21
InChIInChI=1S/C27H21FN6O/c1-27(17-10-3-2-4-11-17)21-23(29)31-25(32-24(21)33-26(27)35)22-19-13-7-8-14-34(19)20(30-22)15-16-9-5-6-12-18(16)28/h2-14H,15H2,1H3,(H3,29,31,32,33,35)
InChIKeyVOZWSSBBMOBYIQ-UHFFFAOYSA-N
MW464.50 g/mol
LogP4.36
Rot. Bonds4

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

4-amino-2-[3-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridin-1-yl]-5-methyl-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 54675552) has the molecular formula C27H21FN6O and a molecular weight of 464.50 g/mol. Its IUPAC name is 4-amino-2-[3-[(2-fluorophenyl)methyl]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-[3-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridin-1-yl]-5-methyl-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
PubChem CID54675552
Molecular FormulaC27H21FN6O
Molecular Weight464.50 g/mol
Exact Mass464.18
IUPAC Name4-amino-2-[3-[(2-fluorophenyl)methyl]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(Cc4ccccc4F)n4ccccc34)nc(N)c21
InChIInChI=1S/C27H21FN6O/c1-27(17-10-3-2-4-11-17)21-23(29)31-25(32-24(21)33-26(27)35)22-19-13-7-8-14-34(19)20(30-22)15-16-9-5-6-12-18(16)28/h2-14H,15H2,1H3,(H3,29,31,32,33,35)
InChIKeyVOZWSSBBMOBYIQ-UHFFFAOYSA-N
XLogP4.36
TPSA98.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.50
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[3-[(2-fluorophenyl)methyl]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-[3-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridin-1-yl]-5-methyl-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-one (CID 54675552) is 4-amino-2-[3-[(2-fluorophenyl)methyl]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-[3-[(2-fluorophenyl)methyl]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-[3-[(2-fluorophenyl)methyl]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(Cc4ccccc4F)n4ccccc34)nc(N)c21.
What is the InChIKey of 4-amino-2-[3-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridin-1-yl]-5-methyl-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is VOZWSSBBMOBYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21FN6O/c1-27(17-10-3-2-4-11-17)21-23(29)31-25(32-24(21)33-26(27)35)22-19-13-7-8-14-34(19)20(30-22)15-16-9-5-6-12-18(16)28/h2-14H,15H2,1H3,(H3,29,31,32,33,35).
What are the key properties of 4-amino-2-[3-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridin-1-yl]-5-methyl-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-one?
4-amino-2-[3-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridin-1-yl]-5-methyl-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 464.50 g/mol, XLogP of 4.36, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[3-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridin-1-yl]-5-methyl-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 54675552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).