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

C25H21F3N6O — CID 46220837

IUPAC4-amino-2-[6-cyclopropyl-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(C5CC5)ccc34)nc(N)c21
InChIInChI=1S/C25H21F3N6O/c1-25(2)18-21(29)31-23(32-22(18)33-24(25)35)20-16-8-5-12(11-3-4-11)10-34(16)17(30-20)9-13-14(26)6-7-15(27)19(13)28/h5-8,10-11H,3-4,9H2,1-2H3,(H3,29,31,32,33,35)
InChIKeyHAGCANIRBUEHBE-UHFFFAOYSA-N
MW478.48 g/mol
LogP4.49
Rot. Bonds4

About 4-amino-2-[6-cyclopropyl-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-cyclopropyl-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 46220837) has the molecular formula C25H21F3N6O and a molecular weight of 478.48 g/mol. Its IUPAC name is 4-amino-2-[6-cyclopropyl-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-cyclopropyl-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 CID46220837
Molecular FormulaC25H21F3N6O
Molecular Weight478.48 g/mol
Exact Mass478.17
IUPAC Name4-amino-2-[6-cyclopropyl-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(C5CC5)ccc34)nc(N)c21
InChIInChI=1S/C25H21F3N6O/c1-25(2)18-21(29)31-23(32-22(18)33-24(25)35)20-16-8-5-12(11-3-4-11)10-34(16)17(30-20)9-13-14(26)6-7-15(27)19(13)28/h5-8,10-11H,3-4,9H2,1-2H3,(H3,29,31,32,33,35)
InChIKeyHAGCANIRBUEHBE-UHFFFAOYSA-N
XLogP4.49
TPSA98.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.48
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[6-cyclopropyl-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-cyclopropyl-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 46220837) is 4-amino-2-[6-cyclopropyl-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-cyclopropyl-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-cyclopropyl-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(C5CC5)ccc34)nc(N)c21.
What is the InChIKey of 4-amino-2-[6-cyclopropyl-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 HAGCANIRBUEHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F3N6O/c1-25(2)18-21(29)31-23(32-22(18)33-24(25)35)20-16-8-5-12(11-3-4-11)10-34(16)17(30-20)9-13-14(26)6-7-15(27)19(13)28/h5-8,10-11H,3-4,9H2,1-2H3,(H3,29,31,32,33,35).
What are the key properties of 4-amino-2-[6-cyclopropyl-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-cyclopropyl-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 478.48 g/mol, XLogP of 4.49, 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-cyclopropyl-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 46220837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).