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

C22H20FN5O2 — CID 155382906

IUPAC[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidin-2-yl]methanol
SMILESCc1ncccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(CO)nc12
InChIInChI=1S/C22H20FN5O2/c1-13-15(3-2-7-24-13)18-10-26-22(28-11-14(12-29)27-21(18)28)25-9-17-16-6-8-30-20(16)5-4-19(17)23/h2-5,7,10-11,29H,6,8-9,12H2,1H3,(H,25,26)
InChIKeyGPGNLADXCXTCLS-UHFFFAOYSA-N
MW405.43 g/mol
LogP3.28
Rot. Bonds5

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

[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidin-2-yl]methanol (PubChem CID 155382906) has the molecular formula C22H20FN5O2 and a molecular weight of 405.43 g/mol. Its IUPAC name is [5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(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-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidin-2-yl]methanol
PubChem CID155382906
Molecular FormulaC22H20FN5O2
Molecular Weight405.43 g/mol
Exact Mass405.16
IUPAC Name[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidin-2-yl]methanol
SMILESCc1ncccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(CO)nc12
InChIInChI=1S/C22H20FN5O2/c1-13-15(3-2-7-24-13)18-10-26-22(28-11-14(12-29)27-21(18)28)25-9-17-16-6-8-30-20(16)5-4-19(17)23/h2-5,7,10-11,29H,6,8-9,12H2,1H3,(H,25,26)
InChIKeyGPGNLADXCXTCLS-UHFFFAOYSA-N
XLogP3.28
TPSA84.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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-(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-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidin-2-yl]methanol (CID 155382906) is [5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(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-(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-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidin-2-yl]methanol is Cc1ncccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(CO)nc12.
What is the InChIKey of [5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidin-2-yl]methanol?
The InChIKey is GPGNLADXCXTCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O2/c1-13-15(3-2-7-24-13)18-10-26-22(28-11-14(12-29)27-21(18)28)25-9-17-16-6-8-30-20(16)5-4-19(17)23/h2-5,7,10-11,29H,6,8-9,12H2,1H3,(H,25,26).
What are the key properties of [5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidin-2-yl]methanol?
[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidin-2-yl]methanol has a molecular weight of 405.43 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidin-2-yl]methanol is sourced from PubChem (CID 155382906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).