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

C24H22FN5O2 — CID 155382905

IUPAC[8-(6-cyclopropyl-3-pyridinyl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-2-yl]methanol
SMILESOCc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(C4CC4)nc3)c2n1
InChIInChI=1S/C24H22FN5O2/c25-20-4-6-22-17(7-8-32-22)19(20)11-28-24-27-10-18(23-29-16(13-31)12-30(23)24)15-3-5-21(26-9-15)14-1-2-14/h3-6,9-10,12,14,31H,1-2,7-8,11,13H2,(H,27,28)
InChIKeyRCVIGXAPGWXYDY-UHFFFAOYSA-N
MW431.47 g/mol
LogP3.85
Rot. Bonds6

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

[8-(6-cyclopropyl-3-pyridinyl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-2-yl]methanol (PubChem CID 155382905) has the molecular formula C24H22FN5O2 and a molecular weight of 431.47 g/mol. Its IUPAC name is [8-(6-cyclopropyl-3-pyridinyl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-2-yl]methanol.

Molecular Properties

Compound Name[8-(6-cyclopropyl-3-pyridinyl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-2-yl]methanol
PubChem CID155382905
Molecular FormulaC24H22FN5O2
Molecular Weight431.47 g/mol
Exact Mass431.18
IUPAC Name[8-(6-cyclopropyl-3-pyridinyl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-2-yl]methanol
SMILESOCc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(C4CC4)nc3)c2n1
InChIInChI=1S/C24H22FN5O2/c25-20-4-6-22-17(7-8-32-22)19(20)11-28-24-27-10-18(23-29-16(13-31)12-30(23)24)15-3-5-21(26-9-15)14-1-2-14/h3-6,9-10,12,14,31H,1-2,7-8,11,13H2,(H,27,28)
InChIKeyRCVIGXAPGWXYDY-UHFFFAOYSA-N
XLogP3.85
TPSA84.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.47
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [8-(6-cyclopropyl-3-pyridinyl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-2-yl]methanol?
The IUPAC name of [8-(6-cyclopropyl-3-pyridinyl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-2-yl]methanol (CID 155382905) is [8-(6-cyclopropyl-3-pyridinyl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-2-yl]methanol.
What is the SMILES notation for [8-(6-cyclopropyl-3-pyridinyl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-2-yl]methanol?
The canonical SMILES for [8-(6-cyclopropyl-3-pyridinyl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-2-yl]methanol is OCc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(C4CC4)nc3)c2n1.
What is the InChIKey of [8-(6-cyclopropyl-3-pyridinyl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-2-yl]methanol?
The InChIKey is RCVIGXAPGWXYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O2/c25-20-4-6-22-17(7-8-32-22)19(20)11-28-24-27-10-18(23-29-16(13-31)12-30(23)24)15-3-5-21(26-9-15)14-1-2-14/h3-6,9-10,12,14,31H,1-2,7-8,11,13H2,(H,27,28).
What are the key properties of [8-(6-cyclopropyl-3-pyridinyl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-2-yl]methanol?
[8-(6-cyclopropyl-3-pyridinyl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-2-yl]methanol has a molecular weight of 431.47 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(6-cyclopropyl-3-pyridinyl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-2-yl]methanol is sourced from PubChem (CID 155382905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).