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

C21H19FN10O — CID 155369140

IUPAC8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-(2H-tetrazol-5-yl)imidazo[1,2-c]pyrimidin-5-amine
SMILESCc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(-c4nn[nH]n4)nc23)n(C)n1
InChIInChI=1S/C21H19FN10O/c1-11-7-17(31(2)28-11)14-9-24-21(32-10-16(25-20(14)32)19-26-29-30-27-19)23-8-13-12-5-6-33-18(12)4-3-15(13)22/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,23,24)(H,26,27,29,30)
InChIKeyARVNNNAHZHBLFN-UHFFFAOYSA-N
MW446.45 g/mol
LogP2.30
Rot. Bonds5

About 8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-(2H-tetrazol-5-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-(2H-tetrazol-5-yl)imidazo[1,2-c]pyrimidin-5-amine (PubChem CID 155369140) has the molecular formula C21H19FN10O 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-(2H-tetrazol-5-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-(2H-tetrazol-5-yl)imidazo[1,2-c]pyrimidin-5-amine
PubChem CID155369140
Molecular FormulaC21H19FN10O
Molecular Weight446.45 g/mol
Exact Mass446.17
IUPAC Name8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-(2H-tetrazol-5-yl)imidazo[1,2-c]pyrimidin-5-amine
SMILESCc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(-c4nn[nH]n4)nc23)n(C)n1
InChIInChI=1S/C21H19FN10O/c1-11-7-17(31(2)28-11)14-9-24-21(32-10-16(25-20(14)32)19-26-29-30-27-19)23-8-13-12-5-6-33-18(12)4-3-15(13)22/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,23,24)(H,26,27,29,30)
InChIKeyARVNNNAHZHBLFN-UHFFFAOYSA-N
XLogP2.30
TPSA123.73 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.45
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-(2H-tetrazol-5-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-(2H-tetrazol-5-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-(2H-tetrazol-5-yl)imidazo[1,2-c]pyrimidin-5-amine (CID 155369140) is 8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-(2H-tetrazol-5-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-(2H-tetrazol-5-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-(2H-tetrazol-5-yl)imidazo[1,2-c]pyrimidin-5-amine is Cc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(-c4nn[nH]n4)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-(2H-tetrazol-5-yl)imidazo[1,2-c]pyrimidin-5-amine?
The InChIKey is ARVNNNAHZHBLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN10O/c1-11-7-17(31(2)28-11)14-9-24-21(32-10-16(25-20(14)32)19-26-29-30-27-19)23-8-13-12-5-6-33-18(12)4-3-15(13)22/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,23,24)(H,26,27,29,30).
What are the key properties of 8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-(2H-tetrazol-5-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-(2H-tetrazol-5-yl)imidazo[1,2-c]pyrimidin-5-amine has a molecular weight of 446.45 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 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-(2H-tetrazol-5-yl)imidazo[1,2-c]pyrimidin-5-amine is sourced from PubChem (CID 155369140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).