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

C22H19FN8O2 — CID 155369181

IUPAC8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-(1,3,4-oxadiazol-2-yl)imidazo[1,2-c]pyrimidin-5-amine
SMILESCc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(-c4nnco4)nc23)n(C)n1
InChIInChI=1S/C22H19FN8O2/c1-12-7-18(30(2)29-12)15-9-25-22(31-10-17(27-20(15)31)21-28-26-11-33-21)24-8-14-13-5-6-32-19(13)4-3-16(14)23/h3-4,7,9-11H,5-6,8H2,1-2H3,(H,24,25)
InChIKeyQSCBENZELMFGOL-UHFFFAOYSA-N
MW446.45 g/mol
LogP3.17
Rot. Bonds5

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

8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-(1,3,4-oxadiazol-2-yl)imidazo[1,2-c]pyrimidin-5-amine (PubChem CID 155369181) has the molecular formula C22H19FN8O2 and a molecular weight of 446.45 g/mol. Its IUPAC name is 8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-(1,3,4-oxadiazol-2-yl)imidazo[1,2-c]pyrimidin-5-amine.

Molecular Properties

Compound Name8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-(1,3,4-oxadiazol-2-yl)imidazo[1,2-c]pyrimidin-5-amine
PubChem CID155369181
Molecular FormulaC22H19FN8O2
Molecular Weight446.45 g/mol
Exact Mass446.16
IUPAC Name8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-(1,3,4-oxadiazol-2-yl)imidazo[1,2-c]pyrimidin-5-amine
SMILESCc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(-c4nnco4)nc23)n(C)n1
InChIInChI=1S/C22H19FN8O2/c1-12-7-18(30(2)29-12)15-9-25-22(31-10-17(27-20(15)31)21-28-26-11-33-21)24-8-14-13-5-6-32-19(13)4-3-16(14)23/h3-4,7,9-11H,5-6,8H2,1-2H3,(H,24,25)
InChIKeyQSCBENZELMFGOL-UHFFFAOYSA-N
XLogP3.17
TPSA108.19 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.45
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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

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Frequently Asked Questions

What is the IUPAC name of 8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-(1,3,4-oxadiazol-2-yl)imidazo[1,2-c]pyrimidin-5-amine?
The IUPAC name of 8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-(1,3,4-oxadiazol-2-yl)imidazo[1,2-c]pyrimidin-5-amine (CID 155369181) is 8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-(1,3,4-oxadiazol-2-yl)imidazo[1,2-c]pyrimidin-5-amine.
What is the SMILES notation for 8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-(1,3,4-oxadiazol-2-yl)imidazo[1,2-c]pyrimidin-5-amine?
The canonical SMILES for 8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-(1,3,4-oxadiazol-2-yl)imidazo[1,2-c]pyrimidin-5-amine is Cc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(-c4nnco4)nc23)n(C)n1.
What is the InChIKey of 8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-(1,3,4-oxadiazol-2-yl)imidazo[1,2-c]pyrimidin-5-amine?
The InChIKey is QSCBENZELMFGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN8O2/c1-12-7-18(30(2)29-12)15-9-25-22(31-10-17(27-20(15)31)21-28-26-11-33-21)24-8-14-13-5-6-32-19(13)4-3-16(14)23/h3-4,7,9-11H,5-6,8H2,1-2H3,(H,24,25).
What are the key properties of 8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-(1,3,4-oxadiazol-2-yl)imidazo[1,2-c]pyrimidin-5-amine?
8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-(1,3,4-oxadiazol-2-yl)imidazo[1,2-c]pyrimidin-5-amine has a molecular weight of 446.45 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-(1,3,4-oxadiazol-2-yl)imidazo[1,2-c]pyrimidin-5-amine is sourced from PubChem (CID 155369181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).