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

C20H15F2N5O — CID 139346180

IUPACN-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-fluoro-3-pyridinyl)imidazo[1,5-c]pyrimidin-5-amine
SMILESFc1ccc2c(c1CNc1ncc(-c3cccnc3F)c3cncn13)CCO2
InChIInChI=1S/C20H15F2N5O/c21-16-3-4-18-12(5-7-28-18)14(16)8-25-20-26-9-15(17-10-23-11-27(17)20)13-2-1-6-24-19(13)22/h1-4,6,9-11H,5,7-8H2,(H,25,26)
InChIKeyCTEOMWHGRNOILB-UHFFFAOYSA-N
MW379.37 g/mol
LogP3.62
Rot. Bonds4

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

N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-fluoro-3-pyridinyl)imidazo[1,5-c]pyrimidin-5-amine (PubChem CID 139346180) has the molecular formula C20H15F2N5O and a molecular weight of 379.37 g/mol. Its IUPAC name is N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-fluoro-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-fluoro-3-pyridinyl)imidazo[1,5-c]pyrimidin-5-amine
PubChem CID139346180
Molecular FormulaC20H15F2N5O
Molecular Weight379.37 g/mol
Exact Mass379.12
IUPAC NameN-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-fluoro-3-pyridinyl)imidazo[1,5-c]pyrimidin-5-amine
SMILESFc1ccc2c(c1CNc1ncc(-c3cccnc3F)c3cncn13)CCO2
InChIInChI=1S/C20H15F2N5O/c21-16-3-4-18-12(5-7-28-18)14(16)8-25-20-26-9-15(17-10-23-11-27(17)20)13-2-1-6-24-19(13)22/h1-4,6,9-11H,5,7-8H2,(H,25,26)
InChIKeyCTEOMWHGRNOILB-UHFFFAOYSA-N
XLogP3.62
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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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-fluoro-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-fluoro-3-pyridinyl)imidazo[1,5-c]pyrimidin-5-amine (CID 139346180) is N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-fluoro-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-fluoro-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-fluoro-3-pyridinyl)imidazo[1,5-c]pyrimidin-5-amine is Fc1ccc2c(c1CNc1ncc(-c3cccnc3F)c3cncn13)CCO2.
What is the InChIKey of N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-fluoro-3-pyridinyl)imidazo[1,5-c]pyrimidin-5-amine?
The InChIKey is CTEOMWHGRNOILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N5O/c21-16-3-4-18-12(5-7-28-18)14(16)8-25-20-26-9-15(17-10-23-11-27(17)20)13-2-1-6-24-19(13)22/h1-4,6,9-11H,5,7-8H2,(H,25,26).
What are the key properties of N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-fluoro-3-pyridinyl)imidazo[1,5-c]pyrimidin-5-amine?
N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-fluoro-3-pyridinyl)imidazo[1,5-c]pyrimidin-5-amine has a molecular weight of 379.37 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 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-fluoro-3-pyridinyl)imidazo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 139346180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).