5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile

C25H19FN8O — CID 155788138

IUPAC5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile
SMILESN#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cnn(Cc4cccnc4)c3)c2n1
InChIInChI=1S/C25H19FN8O/c26-22-3-4-23-19(5-7-35-23)21(22)12-30-25-29-11-20(24-32-18(8-27)15-34(24)25)17-10-31-33(14-17)13-16-2-1-6-28-9-16/h1-4,6,9-11,14-15H,5,7,12-13H2,(H,29,30)
InChIKeyPSEGDJQRHVDTGV-UHFFFAOYSA-N
MW466.48 g/mol
LogP3.59
Rot. Bonds6

About 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile

5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile (PubChem CID 155788138) has the molecular formula C25H19FN8O and a molecular weight of 466.48 g/mol. Its IUPAC name is 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile.

Molecular Properties

Compound Name5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile
PubChem CID155788138
Molecular FormulaC25H19FN8O
Molecular Weight466.48 g/mol
Exact Mass466.17
IUPAC Name5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile
SMILESN#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cnn(Cc4cccnc4)c3)c2n1
InChIInChI=1S/C25H19FN8O/c26-22-3-4-23-19(5-7-35-23)21(22)12-30-25-29-11-20(24-32-18(8-27)15-34(24)25)17-10-31-33(14-17)13-16-2-1-6-28-9-16/h1-4,6,9-11,14-15H,5,7,12-13H2,(H,29,30)
InChIKeyPSEGDJQRHVDTGV-UHFFFAOYSA-N
XLogP3.59
TPSA105.95 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.48
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile?
The IUPAC name of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile (CID 155788138) is 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile.
What is the SMILES notation for 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile?
The canonical SMILES for 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile is N#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cnn(Cc4cccnc4)c3)c2n1.
What is the InChIKey of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile?
The InChIKey is PSEGDJQRHVDTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN8O/c26-22-3-4-23-19(5-7-35-23)21(22)12-30-25-29-11-20(24-32-18(8-27)15-34(24)25)17-10-31-33(14-17)13-16-2-1-6-28-9-16/h1-4,6,9-11,14-15H,5,7,12-13H2,(H,29,30).
What are the key properties of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile?
5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile has a molecular weight of 466.48 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile is sourced from PubChem (CID 155788138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).