2-[5-(7-fluoro-2-methyl-3-spiro[1H-2-benzofuran-3,1'-cyclopropane]-1-ylimidazo[1,2-a]pyridin-6-yl)pyrimidin-2-yl]propan-2-ol

C25H23FN4O2 — CID 91809180

IUPAC2-[5-(7-fluoro-2-methyl-3-spiro[1H-2-benzofuran-3,1'-cyclopropane]-1-ylimidazo[1,2-a]pyridin-6-yl)pyrimidin-2-yl]propan-2-ol
SMILESCc1nc2cc(F)c(-c3cnc(C(C)(C)O)nc3)cn2c1C1OC2(CC2)c2ccccc21
InChIInChI=1S/C25H23FN4O2/c1-14-21(22-16-6-4-5-7-18(16)25(32-22)8-9-25)30-13-17(19(26)10-20(30)29-14)15-11-27-23(28-12-15)24(2,3)31/h4-7,10-13,22,31H,8-9H2,1-3H3
InChIKeyKTJITZKXELZTPN-UHFFFAOYSA-N
MW430.48 g/mol
LogP4.57
Rot. Bonds3

About 2-[5-(7-fluoro-2-methyl-3-spiro[1H-2-benzofuran-3,1'-cyclopropane]-1-ylimidazo[1,2-a]pyridin-6-yl)pyrimidin-2-yl]propan-2-ol

2-[5-(7-fluoro-2-methyl-3-spiro[1H-2-benzofuran-3,1'-cyclopropane]-1-ylimidazo[1,2-a]pyridin-6-yl)pyrimidin-2-yl]propan-2-ol (PubChem CID 91809180) has the molecular formula C25H23FN4O2 and a molecular weight of 430.48 g/mol. Its IUPAC name is 2-[5-(7-fluoro-2-methyl-3-spiro[1H-2-benzofuran-3,1'-cyclopropane]-1-ylimidazo[1,2-a]pyridin-6-yl)pyrimidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[5-(7-fluoro-2-methyl-3-spiro[1H-2-benzofuran-3,1'-cyclopropane]-1-ylimidazo[1,2-a]pyridin-6-yl)pyrimidin-2-yl]propan-2-ol
PubChem CID91809180
Molecular FormulaC25H23FN4O2
Molecular Weight430.48 g/mol
Exact Mass430.18
IUPAC Name2-[5-(7-fluoro-2-methyl-3-spiro[1H-2-benzofuran-3,1'-cyclopropane]-1-ylimidazo[1,2-a]pyridin-6-yl)pyrimidin-2-yl]propan-2-ol
SMILESCc1nc2cc(F)c(-c3cnc(C(C)(C)O)nc3)cn2c1C1OC2(CC2)c2ccccc21
InChIInChI=1S/C25H23FN4O2/c1-14-21(22-16-6-4-5-7-18(16)25(32-22)8-9-25)30-13-17(19(26)10-20(30)29-14)15-11-27-23(28-12-15)24(2,3)31/h4-7,10-13,22,31H,8-9H2,1-3H3
InChIKeyKTJITZKXELZTPN-UHFFFAOYSA-N
XLogP4.57
TPSA72.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.48
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(7-fluoro-2-methyl-3-spiro[1H-2-benzofuran-3,1'-cyclopropane]-1-ylimidazo[1,2-a]pyridin-6-yl)pyrimidin-2-yl]propan-2-ol?
The IUPAC name of 2-[5-(7-fluoro-2-methyl-3-spiro[1H-2-benzofuran-3,1'-cyclopropane]-1-ylimidazo[1,2-a]pyridin-6-yl)pyrimidin-2-yl]propan-2-ol (CID 91809180) is 2-[5-(7-fluoro-2-methyl-3-spiro[1H-2-benzofuran-3,1'-cyclopropane]-1-ylimidazo[1,2-a]pyridin-6-yl)pyrimidin-2-yl]propan-2-ol.
What is the SMILES notation for 2-[5-(7-fluoro-2-methyl-3-spiro[1H-2-benzofuran-3,1'-cyclopropane]-1-ylimidazo[1,2-a]pyridin-6-yl)pyrimidin-2-yl]propan-2-ol?
The canonical SMILES for 2-[5-(7-fluoro-2-methyl-3-spiro[1H-2-benzofuran-3,1'-cyclopropane]-1-ylimidazo[1,2-a]pyridin-6-yl)pyrimidin-2-yl]propan-2-ol is Cc1nc2cc(F)c(-c3cnc(C(C)(C)O)nc3)cn2c1C1OC2(CC2)c2ccccc21.
What is the InChIKey of 2-[5-(7-fluoro-2-methyl-3-spiro[1H-2-benzofuran-3,1'-cyclopropane]-1-ylimidazo[1,2-a]pyridin-6-yl)pyrimidin-2-yl]propan-2-ol?
The InChIKey is KTJITZKXELZTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O2/c1-14-21(22-16-6-4-5-7-18(16)25(32-22)8-9-25)30-13-17(19(26)10-20(30)29-14)15-11-27-23(28-12-15)24(2,3)31/h4-7,10-13,22,31H,8-9H2,1-3H3.
What are the key properties of 2-[5-(7-fluoro-2-methyl-3-spiro[1H-2-benzofuran-3,1'-cyclopropane]-1-ylimidazo[1,2-a]pyridin-6-yl)pyrimidin-2-yl]propan-2-ol?
2-[5-(7-fluoro-2-methyl-3-spiro[1H-2-benzofuran-3,1'-cyclopropane]-1-ylimidazo[1,2-a]pyridin-6-yl)pyrimidin-2-yl]propan-2-ol has a molecular weight of 430.48 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(7-fluoro-2-methyl-3-spiro[1H-2-benzofuran-3,1'-cyclopropane]-1-ylimidazo[1,2-a]pyridin-6-yl)pyrimidin-2-yl]propan-2-ol is sourced from PubChem (CID 91809180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).