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

C24H22FN7O2 — CID 155676947

IUPAC5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-(oxolan-2-ylmethyl)pyrazol-3-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile
SMILESN#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccn(CC4CCCO4)n3)c2n1
InChIInChI=1S/C24H22FN7O2/c25-20-3-4-22-17(6-9-34-22)18(20)11-27-24-28-12-19(23-29-15(10-26)13-32(23)24)21-5-7-31(30-21)14-16-2-1-8-33-16/h3-5,7,12-13,16H,1-2,6,8-9,11,14H2,(H,27,28)
InChIKeyPIRZDXQMMZIWOI-UHFFFAOYSA-N
MW459.49 g/mol
LogP3.33
Rot. Bonds6

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

5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-(oxolan-2-ylmethyl)pyrazol-3-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile (PubChem CID 155676947) has the molecular formula C24H22FN7O2 and a molecular weight of 459.49 g/mol. Its IUPAC name is 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-(oxolan-2-ylmethyl)pyrazol-3-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile.

Molecular Properties

Compound Name5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-(oxolan-2-ylmethyl)pyrazol-3-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile
PubChem CID155676947
Molecular FormulaC24H22FN7O2
Molecular Weight459.49 g/mol
Exact Mass459.18
IUPAC Name5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-(oxolan-2-ylmethyl)pyrazol-3-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile
SMILESN#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccn(CC4CCCO4)n3)c2n1
InChIInChI=1S/C24H22FN7O2/c25-20-3-4-22-17(6-9-34-22)18(20)11-27-24-28-12-19(23-29-15(10-26)13-32(23)24)21-5-7-31(30-21)14-16-2-1-8-33-16/h3-5,7,12-13,16H,1-2,6,8-9,11,14H2,(H,27,28)
InChIKeyPIRZDXQMMZIWOI-UHFFFAOYSA-N
XLogP3.33
TPSA102.29 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.49
LogP ≤ 53.33
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-(oxolan-2-ylmethyl)pyrazol-3-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-(oxolan-2-ylmethyl)pyrazol-3-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile (CID 155676947) is 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-(oxolan-2-ylmethyl)pyrazol-3-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-(oxolan-2-ylmethyl)pyrazol-3-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-(oxolan-2-ylmethyl)pyrazol-3-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile is N#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccn(CC4CCCO4)n3)c2n1.
What is the InChIKey of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-(oxolan-2-ylmethyl)pyrazol-3-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile?
The InChIKey is PIRZDXQMMZIWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN7O2/c25-20-3-4-22-17(6-9-34-22)18(20)11-27-24-28-12-19(23-29-15(10-26)13-32(23)24)21-5-7-31(30-21)14-16-2-1-8-33-16/h3-5,7,12-13,16H,1-2,6,8-9,11,14H2,(H,27,28).
What are the key properties of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-(oxolan-2-ylmethyl)pyrazol-3-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile?
5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-(oxolan-2-ylmethyl)pyrazol-3-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile has a molecular weight of 459.49 g/mol, XLogP of 3.33, 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-(oxolan-2-ylmethyl)pyrazol-3-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile is sourced from PubChem (CID 155676947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).