N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-3-pyridinyl)-1-(6-methyl-3-pyridinyl)imidazo[1,5-c]pyrimidin-5-amine

C27H23FN6O — CID 139346317

IUPACN-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-3-pyridinyl)-1-(6-methyl-3-pyridinyl)imidazo[1,5-c]pyrimidin-5-amine
SMILESCc1ccc(-c2ncn3c(NCc4c(F)ccc5c4CCO5)ncc(-c4cccnc4C)c23)cn1
InChIInChI=1S/C27H23FN6O/c1-16-5-6-18(12-30-16)25-26-22(19-4-3-10-29-17(19)2)14-32-27(34(26)15-33-25)31-13-21-20-9-11-35-24(20)8-7-23(21)28/h3-8,10,12,14-15H,9,11,13H2,1-2H3,(H,31,32)
InChIKeyAZVTZJGVTDJFBH-UHFFFAOYSA-N
MW466.52 g/mol
LogP5.16
Rot. Bonds5

About N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-3-pyridinyl)-1-(6-methyl-3-pyridinyl)imidazo[1,5-c]pyrimidin-5-amine

N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-3-pyridinyl)-1-(6-methyl-3-pyridinyl)imidazo[1,5-c]pyrimidin-5-amine (PubChem CID 139346317) has the molecular formula C27H23FN6O and a molecular weight of 466.52 g/mol. Its IUPAC name is N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-3-pyridinyl)-1-(6-methyl-3-pyridinyl)imidazo[1,5-c]pyrimidin-5-amine.

Molecular Properties

Compound NameN-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-3-pyridinyl)-1-(6-methyl-3-pyridinyl)imidazo[1,5-c]pyrimidin-5-amine
PubChem CID139346317
Molecular FormulaC27H23FN6O
Molecular Weight466.52 g/mol
Exact Mass466.19
IUPAC NameN-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-3-pyridinyl)-1-(6-methyl-3-pyridinyl)imidazo[1,5-c]pyrimidin-5-amine
SMILESCc1ccc(-c2ncn3c(NCc4c(F)ccc5c4CCO5)ncc(-c4cccnc4C)c23)cn1
InChIInChI=1S/C27H23FN6O/c1-16-5-6-18(12-30-16)25-26-22(19-4-3-10-29-17(19)2)14-32-27(34(26)15-33-25)31-13-21-20-9-11-35-24(20)8-7-23(21)28/h3-8,10,12,14-15H,9,11,13H2,1-2H3,(H,31,32)
InChIKeyAZVTZJGVTDJFBH-UHFFFAOYSA-N
XLogP5.16
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.52
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-3-pyridinyl)-1-(6-methyl-3-pyridinyl)imidazo[1,5-c]pyrimidin-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-3-pyridinyl)-1-(6-methyl-3-pyridinyl)imidazo[1,5-c]pyrimidin-5-amine?
The IUPAC name of N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-3-pyridinyl)-1-(6-methyl-3-pyridinyl)imidazo[1,5-c]pyrimidin-5-amine (CID 139346317) is N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-3-pyridinyl)-1-(6-methyl-3-pyridinyl)imidazo[1,5-c]pyrimidin-5-amine.
What is the SMILES notation for N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-3-pyridinyl)-1-(6-methyl-3-pyridinyl)imidazo[1,5-c]pyrimidin-5-amine?
The canonical SMILES for N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-3-pyridinyl)-1-(6-methyl-3-pyridinyl)imidazo[1,5-c]pyrimidin-5-amine is Cc1ccc(-c2ncn3c(NCc4c(F)ccc5c4CCO5)ncc(-c4cccnc4C)c23)cn1.
What is the InChIKey of N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-3-pyridinyl)-1-(6-methyl-3-pyridinyl)imidazo[1,5-c]pyrimidin-5-amine?
The InChIKey is AZVTZJGVTDJFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN6O/c1-16-5-6-18(12-30-16)25-26-22(19-4-3-10-29-17(19)2)14-32-27(34(26)15-33-25)31-13-21-20-9-11-35-24(20)8-7-23(21)28/h3-8,10,12,14-15H,9,11,13H2,1-2H3,(H,31,32).
What are the key properties of N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-3-pyridinyl)-1-(6-methyl-3-pyridinyl)imidazo[1,5-c]pyrimidin-5-amine?
N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-3-pyridinyl)-1-(6-methyl-3-pyridinyl)imidazo[1,5-c]pyrimidin-5-amine has a molecular weight of 466.52 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-3-pyridinyl)-1-(6-methyl-3-pyridinyl)imidazo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 139346317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).