[2-(4-fluorophenyl)-3-[2-[(6-methyl-2-pyridinyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol

C25H21FN6O — CID 58824610

IUPAC[2-(4-fluorophenyl)-3-[2-[(6-methyl-2-pyridinyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
SMILESCc1cccc(CNc2nccc(-c3c(-c4ccc(F)cc4)nc4cc(CO)ccn34)n2)n1
InChIInChI=1S/C25H21FN6O/c1-16-3-2-4-20(29-16)14-28-25-27-11-9-21(30-25)24-23(18-5-7-19(26)8-6-18)31-22-13-17(15-33)10-12-32(22)24/h2-13,33H,14-15H2,1H3,(H,27,28,30)
InChIKeyXAMGRWGGBFAZDU-UHFFFAOYSA-N
MW440.48 g/mol
LogP4.41
Rot. Bonds6

About [2-(4-fluorophenyl)-3-[2-[(6-methyl-2-pyridinyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol

[2-(4-fluorophenyl)-3-[2-[(6-methyl-2-pyridinyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol (PubChem CID 58824610) has the molecular formula C25H21FN6O and a molecular weight of 440.48 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-3-[2-[(6-methyl-2-pyridinyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-3-[2-[(6-methyl-2-pyridinyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
PubChem CID58824610
Molecular FormulaC25H21FN6O
Molecular Weight440.48 g/mol
Exact Mass440.18
IUPAC Name[2-(4-fluorophenyl)-3-[2-[(6-methyl-2-pyridinyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
SMILESCc1cccc(CNc2nccc(-c3c(-c4ccc(F)cc4)nc4cc(CO)ccn34)n2)n1
InChIInChI=1S/C25H21FN6O/c1-16-3-2-4-20(29-16)14-28-25-27-11-9-21(30-25)24-23(18-5-7-19(26)8-6-18)31-22-13-17(15-33)10-12-32(22)24/h2-13,33H,14-15H2,1H3,(H,27,28,30)
InChIKeyXAMGRWGGBFAZDU-UHFFFAOYSA-N
XLogP4.41
TPSA88.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.48
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-3-[2-[(6-methyl-2-pyridinyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol?
The IUPAC name of [2-(4-fluorophenyl)-3-[2-[(6-methyl-2-pyridinyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol (CID 58824610) is [2-(4-fluorophenyl)-3-[2-[(6-methyl-2-pyridinyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol.
What is the SMILES notation for [2-(4-fluorophenyl)-3-[2-[(6-methyl-2-pyridinyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol?
The canonical SMILES for [2-(4-fluorophenyl)-3-[2-[(6-methyl-2-pyridinyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol is Cc1cccc(CNc2nccc(-c3c(-c4ccc(F)cc4)nc4cc(CO)ccn34)n2)n1.
What is the InChIKey of [2-(4-fluorophenyl)-3-[2-[(6-methyl-2-pyridinyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol?
The InChIKey is XAMGRWGGBFAZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN6O/c1-16-3-2-4-20(29-16)14-28-25-27-11-9-21(30-25)24-23(18-5-7-19(26)8-6-18)31-22-13-17(15-33)10-12-32(22)24/h2-13,33H,14-15H2,1H3,(H,27,28,30).
What are the key properties of [2-(4-fluorophenyl)-3-[2-[(6-methyl-2-pyridinyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol?
[2-(4-fluorophenyl)-3-[2-[(6-methyl-2-pyridinyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol has a molecular weight of 440.48 g/mol, XLogP of 4.41, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-3-[2-[(6-methyl-2-pyridinyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol is sourced from PubChem (CID 58824610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).