2-[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidin-8-yl]-3,5-dimethylpyrazol-1-yl]ethanol

C22H23FN6O2 — CID 139346077

IUPAC2-[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidin-8-yl]-3,5-dimethylpyrazol-1-yl]ethanol
SMILESCc1nn(CCO)c(C)c1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cncc12
InChIInChI=1S/C22H23FN6O2/c1-13-21(14(2)29(27-13)6-7-30)17-10-26-22(28-12-24-11-19(17)28)25-9-16-15-5-8-31-20(15)4-3-18(16)23/h3-4,10-12,30H,5-9H2,1-2H3,(H,25,26)
InChIKeyJAFSAJQTBBSUPY-UHFFFAOYSA-N
MW422.46 g/mol
LogP2.89
Rot. Bonds6

About 2-[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidin-8-yl]-3,5-dimethylpyrazol-1-yl]ethanol

2-[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidin-8-yl]-3,5-dimethylpyrazol-1-yl]ethanol (PubChem CID 139346077) has the molecular formula C22H23FN6O2 and a molecular weight of 422.46 g/mol. Its IUPAC name is 2-[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidin-8-yl]-3,5-dimethylpyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidin-8-yl]-3,5-dimethylpyrazol-1-yl]ethanol
PubChem CID139346077
Molecular FormulaC22H23FN6O2
Molecular Weight422.46 g/mol
Exact Mass422.19
IUPAC Name2-[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidin-8-yl]-3,5-dimethylpyrazol-1-yl]ethanol
SMILESCc1nn(CCO)c(C)c1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cncc12
InChIInChI=1S/C22H23FN6O2/c1-13-21(14(2)29(27-13)6-7-30)17-10-26-22(28-12-24-11-19(17)28)25-9-16-15-5-8-31-20(15)4-3-18(16)23/h3-4,10-12,30H,5-9H2,1-2H3,(H,25,26)
InChIKeyJAFSAJQTBBSUPY-UHFFFAOYSA-N
XLogP2.89
TPSA89.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidin-8-yl]-3,5-dimethylpyrazol-1-yl]ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidin-8-yl]-3,5-dimethylpyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidin-8-yl]-3,5-dimethylpyrazol-1-yl]ethanol (CID 139346077) is 2-[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidin-8-yl]-3,5-dimethylpyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidin-8-yl]-3,5-dimethylpyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidin-8-yl]-3,5-dimethylpyrazol-1-yl]ethanol is Cc1nn(CCO)c(C)c1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cncc12.
What is the InChIKey of 2-[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidin-8-yl]-3,5-dimethylpyrazol-1-yl]ethanol?
The InChIKey is JAFSAJQTBBSUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN6O2/c1-13-21(14(2)29(27-13)6-7-30)17-10-26-22(28-12-24-11-19(17)28)25-9-16-15-5-8-31-20(15)4-3-18(16)23/h3-4,10-12,30H,5-9H2,1-2H3,(H,25,26).
What are the key properties of 2-[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidin-8-yl]-3,5-dimethylpyrazol-1-yl]ethanol?
2-[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidin-8-yl]-3,5-dimethylpyrazol-1-yl]ethanol has a molecular weight of 422.46 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidin-8-yl]-3,5-dimethylpyrazol-1-yl]ethanol is sourced from PubChem (CID 139346077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).