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

C24H22FN7O2 — CID 155788076

IUPAC5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-(oxan-2-yl)pyrazol-4-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile
SMILESN#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cnn(C4CCCCO4)c3)c2n1
InChIInChI=1S/C24H22FN7O2/c25-20-4-5-21-17(6-8-33-21)19(20)12-28-24-27-11-18(23-30-16(9-26)14-31(23)24)15-10-29-32(13-15)22-3-1-2-7-34-22/h4-5,10-11,13-14,22H,1-3,6-8,12H2,(H,27,28)
InChIKeySRCGBYDIZKQDAX-UHFFFAOYSA-N
MW459.49 g/mol
LogP3.85
Rot. Bonds5

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

5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-(oxan-2-yl)pyrazol-4-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile (PubChem CID 155788076) 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-(oxan-2-yl)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-(oxan-2-yl)pyrazol-4-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile
PubChem CID155788076
Molecular FormulaC24H22FN7O2
Molecular Weight459.49 g/mol
Exact Mass459.18
IUPAC Name5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-(oxan-2-yl)pyrazol-4-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile
SMILESN#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cnn(C4CCCCO4)c3)c2n1
InChIInChI=1S/C24H22FN7O2/c25-20-4-5-21-17(6-8-33-21)19(20)12-28-24-27-11-18(23-30-16(9-26)14-31(23)24)15-10-29-32(13-15)22-3-1-2-7-34-22/h4-5,10-11,13-14,22H,1-3,6-8,12H2,(H,27,28)
InChIKeySRCGBYDIZKQDAX-UHFFFAOYSA-N
XLogP3.85
TPSA102.29 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.49
LogP ≤ 53.85
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-(oxan-2-yl)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-(oxan-2-yl)pyrazol-4-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile (CID 155788076) is 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-(oxan-2-yl)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-(oxan-2-yl)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-(oxan-2-yl)pyrazol-4-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile is N#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cnn(C4CCCCO4)c3)c2n1.
What is the InChIKey of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-(oxan-2-yl)pyrazol-4-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile?
The InChIKey is SRCGBYDIZKQDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN7O2/c25-20-4-5-21-17(6-8-33-21)19(20)12-28-24-27-11-18(23-30-16(9-26)14-31(23)24)15-10-29-32(13-15)22-3-1-2-7-34-22/h4-5,10-11,13-14,22H,1-3,6-8,12H2,(H,27,28).
What are the key properties of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-(oxan-2-yl)pyrazol-4-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile?
5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-(oxan-2-yl)pyrazol-4-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile has a molecular weight of 459.49 g/mol, XLogP of 3.85, 5 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-(oxan-2-yl)pyrazol-4-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile is sourced from PubChem (CID 155788076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).