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

C27H25FN6O2 — CID 155369137

IUPAC[8-(2,5-dimethylpyrazol-3-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-2-yl]-phenylmethanol
SMILESCc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C(O)c4ccccc4)nc23)n(C)n1
InChIInChI=1S/C27H25FN6O2/c1-16-12-23(33(2)32-16)20-14-30-27(29-13-19-18-10-11-36-24(18)9-8-21(19)28)34-15-22(31-26(20)34)25(35)17-6-4-3-5-7-17/h3-9,12,14-15,25,35H,10-11,13H2,1-2H3,(H,29,30)
InChIKeyFRMGONKFGHGEDM-UHFFFAOYSA-N
MW484.54 g/mol
LogP4.21
Rot. Bonds6

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

[8-(2,5-dimethylpyrazol-3-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-2-yl]-phenylmethanol (PubChem CID 155369137) has the molecular formula C27H25FN6O2 and a molecular weight of 484.54 g/mol. Its IUPAC name is [8-(2,5-dimethylpyrazol-3-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-2-yl]-phenylmethanol.

Molecular Properties

Compound Name[8-(2,5-dimethylpyrazol-3-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-2-yl]-phenylmethanol
PubChem CID155369137
Molecular FormulaC27H25FN6O2
Molecular Weight484.54 g/mol
Exact Mass484.20
IUPAC Name[8-(2,5-dimethylpyrazol-3-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-2-yl]-phenylmethanol
SMILESCc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C(O)c4ccccc4)nc23)n(C)n1
InChIInChI=1S/C27H25FN6O2/c1-16-12-23(33(2)32-16)20-14-30-27(29-13-19-18-10-11-36-24(18)9-8-21(19)28)34-15-22(31-26(20)34)25(35)17-6-4-3-5-7-17/h3-9,12,14-15,25,35H,10-11,13H2,1-2H3,(H,29,30)
InChIKeyFRMGONKFGHGEDM-UHFFFAOYSA-N
XLogP4.21
TPSA89.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.54
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of [8-(2,5-dimethylpyrazol-3-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-2-yl]-phenylmethanol?
The IUPAC name of [8-(2,5-dimethylpyrazol-3-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-2-yl]-phenylmethanol (CID 155369137) is [8-(2,5-dimethylpyrazol-3-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-2-yl]-phenylmethanol.
What is the SMILES notation for [8-(2,5-dimethylpyrazol-3-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-2-yl]-phenylmethanol?
The canonical SMILES for [8-(2,5-dimethylpyrazol-3-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-2-yl]-phenylmethanol is Cc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C(O)c4ccccc4)nc23)n(C)n1.
What is the InChIKey of [8-(2,5-dimethylpyrazol-3-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-2-yl]-phenylmethanol?
The InChIKey is FRMGONKFGHGEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN6O2/c1-16-12-23(33(2)32-16)20-14-30-27(29-13-19-18-10-11-36-24(18)9-8-21(19)28)34-15-22(31-26(20)34)25(35)17-6-4-3-5-7-17/h3-9,12,14-15,25,35H,10-11,13H2,1-2H3,(H,29,30).
What are the key properties of [8-(2,5-dimethylpyrazol-3-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-2-yl]-phenylmethanol?
[8-(2,5-dimethylpyrazol-3-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-2-yl]-phenylmethanol has a molecular weight of 484.54 g/mol, XLogP of 4.21, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(2,5-dimethylpyrazol-3-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-2-yl]-phenylmethanol is sourced from PubChem (CID 155369137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).