[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(6-methoxy-2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidin-2-yl]methanol

C23H22FN5O3 — CID 155383079

IUPAC[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(6-methoxy-2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidin-2-yl]methanol
SMILESCOc1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(CO)nc23)c(C)n1
InChIInChI=1S/C23H22FN5O3/c1-13-15(3-6-21(27-13)31-2)18-10-26-23(29-11-14(12-30)28-22(18)29)25-9-17-16-7-8-32-20(16)5-4-19(17)24/h3-6,10-11,30H,7-9,12H2,1-2H3,(H,25,26)
InChIKeySJKPDBHMQXAFBX-UHFFFAOYSA-N
MW435.46 g/mol
LogP3.29
Rot. Bonds6

About [5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(6-methoxy-2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidin-2-yl]methanol

[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(6-methoxy-2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidin-2-yl]methanol (PubChem CID 155383079) has the molecular formula C23H22FN5O3 and a molecular weight of 435.46 g/mol. Its IUPAC name is [5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(6-methoxy-2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidin-2-yl]methanol.

Molecular Properties

Compound Name[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(6-methoxy-2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidin-2-yl]methanol
PubChem CID155383079
Molecular FormulaC23H22FN5O3
Molecular Weight435.46 g/mol
Exact Mass435.17
IUPAC Name[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(6-methoxy-2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidin-2-yl]methanol
SMILESCOc1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(CO)nc23)c(C)n1
InChIInChI=1S/C23H22FN5O3/c1-13-15(3-6-21(27-13)31-2)18-10-26-23(29-11-14(12-30)28-22(18)29)25-9-17-16-7-8-32-20(16)5-4-19(17)24/h3-6,10-11,30H,7-9,12H2,1-2H3,(H,25,26)
InChIKeySJKPDBHMQXAFBX-UHFFFAOYSA-N
XLogP3.29
TPSA93.80 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.46
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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-(6-methoxy-2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidin-2-yl]methanol?
The IUPAC name of [5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(6-methoxy-2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidin-2-yl]methanol (CID 155383079) is [5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(6-methoxy-2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidin-2-yl]methanol.
What is the SMILES notation for [5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(6-methoxy-2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidin-2-yl]methanol?
The canonical SMILES for [5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(6-methoxy-2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidin-2-yl]methanol is COc1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(CO)nc23)c(C)n1.
What is the InChIKey of [5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(6-methoxy-2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidin-2-yl]methanol?
The InChIKey is SJKPDBHMQXAFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O3/c1-13-15(3-6-21(27-13)31-2)18-10-26-23(29-11-14(12-30)28-22(18)29)25-9-17-16-7-8-32-20(16)5-4-19(17)24/h3-6,10-11,30H,7-9,12H2,1-2H3,(H,25,26).
What are the key properties of [5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(6-methoxy-2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidin-2-yl]methanol?
[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(6-methoxy-2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidin-2-yl]methanol has a molecular weight of 435.46 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(6-methoxy-2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidin-2-yl]methanol is sourced from PubChem (CID 155383079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).