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

C19H13BrFN7O — CID 139371710

IUPAC8-(4-bromo-1H-pyrazol-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile
SMILESN#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3[nH]ncc3Br)c2n1
InChIInChI=1S/C19H13BrFN7O/c20-14-8-25-27-17(14)13-7-24-19(28-9-10(5-22)26-18(13)28)23-6-12-11-3-4-29-16(11)2-1-15(12)21/h1-2,7-9H,3-4,6H2,(H,23,24)(H,25,27)
InChIKeyQJOCJQZOHIWCTD-UHFFFAOYSA-N
MW454.26 g/mol
LogP3.44
Rot. Bonds4

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

8-(4-bromo-1H-pyrazol-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile (PubChem CID 139371710) has the molecular formula C19H13BrFN7O and a molecular weight of 454.26 g/mol. Its IUPAC name is 8-(4-bromo-1H-pyrazol-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile.

Molecular Properties

Compound Name8-(4-bromo-1H-pyrazol-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile
PubChem CID139371710
Molecular FormulaC19H13BrFN7O
Molecular Weight454.26 g/mol
Exact Mass453.03
IUPAC Name8-(4-bromo-1H-pyrazol-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile
SMILESN#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3[nH]ncc3Br)c2n1
InChIInChI=1S/C19H13BrFN7O/c20-14-8-25-27-17(14)13-7-24-19(28-9-10(5-22)26-18(13)28)23-6-12-11-3-4-29-16(11)2-1-15(12)21/h1-2,7-9H,3-4,6H2,(H,23,24)(H,25,27)
InChIKeyQJOCJQZOHIWCTD-UHFFFAOYSA-N
XLogP3.44
TPSA103.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.26
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-(4-bromo-1H-pyrazol-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile?
The IUPAC name of 8-(4-bromo-1H-pyrazol-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile (CID 139371710) is 8-(4-bromo-1H-pyrazol-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile.
What is the SMILES notation for 8-(4-bromo-1H-pyrazol-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile?
The canonical SMILES for 8-(4-bromo-1H-pyrazol-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile is N#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3[nH]ncc3Br)c2n1.
What is the InChIKey of 8-(4-bromo-1H-pyrazol-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile?
The InChIKey is QJOCJQZOHIWCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrFN7O/c20-14-8-25-27-17(14)13-7-24-19(28-9-10(5-22)26-18(13)28)23-6-12-11-3-4-29-16(11)2-1-15(12)21/h1-2,7-9H,3-4,6H2,(H,23,24)(H,25,27).
What are the key properties of 8-(4-bromo-1H-pyrazol-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile?
8-(4-bromo-1H-pyrazol-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile has a molecular weight of 454.26 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-bromo-1H-pyrazol-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile is sourced from PubChem (CID 139371710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).