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

C21H16F3N5O — CID 139346058

IUPAC8-[6-(difluoromethyl)-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,5-c]pyrimidin-5-amine
SMILESFc1ccc2c(c1CNc1ncc(-c3ccc(C(F)F)nc3)c3cncn13)CCO2
InChIInChI=1S/C21H16F3N5O/c22-16-2-4-19-13(5-6-30-19)15(16)9-28-21-27-8-14(18-10-25-11-29(18)21)12-1-3-17(20(23)24)26-7-12/h1-4,7-8,10-11,20H,5-6,9H2,(H,27,28)
InChIKeyLKDJPLWWFCYONP-UHFFFAOYSA-N
MW411.39 g/mol
LogP4.41
Rot. Bonds5

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

8-[6-(difluoromethyl)-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,5-c]pyrimidin-5-amine (PubChem CID 139346058) has the molecular formula C21H16F3N5O and a molecular weight of 411.39 g/mol. Its IUPAC name is 8-[6-(difluoromethyl)-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,5-c]pyrimidin-5-amine.

Molecular Properties

Compound Name8-[6-(difluoromethyl)-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,5-c]pyrimidin-5-amine
PubChem CID139346058
Molecular FormulaC21H16F3N5O
Molecular Weight411.39 g/mol
Exact Mass411.13
IUPAC Name8-[6-(difluoromethyl)-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,5-c]pyrimidin-5-amine
SMILESFc1ccc2c(c1CNc1ncc(-c3ccc(C(F)F)nc3)c3cncn13)CCO2
InChIInChI=1S/C21H16F3N5O/c22-16-2-4-19-13(5-6-30-19)15(16)9-28-21-27-8-14(18-10-25-11-29(18)21)12-1-3-17(20(23)24)26-7-12/h1-4,7-8,10-11,20H,5-6,9H2,(H,27,28)
InChIKeyLKDJPLWWFCYONP-UHFFFAOYSA-N
XLogP4.41
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.39
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[6-(difluoromethyl)-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,5-c]pyrimidin-5-amine?
The IUPAC name of 8-[6-(difluoromethyl)-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,5-c]pyrimidin-5-amine (CID 139346058) is 8-[6-(difluoromethyl)-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,5-c]pyrimidin-5-amine.
What is the SMILES notation for 8-[6-(difluoromethyl)-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,5-c]pyrimidin-5-amine?
The canonical SMILES for 8-[6-(difluoromethyl)-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,5-c]pyrimidin-5-amine is Fc1ccc2c(c1CNc1ncc(-c3ccc(C(F)F)nc3)c3cncn13)CCO2.
What is the InChIKey of 8-[6-(difluoromethyl)-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,5-c]pyrimidin-5-amine?
The InChIKey is LKDJPLWWFCYONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N5O/c22-16-2-4-19-13(5-6-30-19)15(16)9-28-21-27-8-14(18-10-25-11-29(18)21)12-1-3-17(20(23)24)26-7-12/h1-4,7-8,10-11,20H,5-6,9H2,(H,27,28).
What are the key properties of 8-[6-(difluoromethyl)-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,5-c]pyrimidin-5-amine?
8-[6-(difluoromethyl)-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,5-c]pyrimidin-5-amine has a molecular weight of 411.39 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-(difluoromethyl)-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 139346058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).