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

C25H19F2N5O — CID 58824335

IUPAC[2-(4-fluorophenyl)-3-[2-[(2-fluorophenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
SMILESOCc1ccn2c(-c3ccnc(NCc4ccccc4F)n3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C25H19F2N5O/c26-19-7-5-17(6-8-19)23-24(32-12-10-16(15-33)13-22(32)31-23)21-9-11-28-25(30-21)29-14-18-3-1-2-4-20(18)27/h1-13,33H,14-15H2,(H,28,29,30)
InChIKeyLXNHIRNVIICSCD-UHFFFAOYSA-N
MW443.46 g/mol
LogP4.84
Rot. Bonds6

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

[2-(4-fluorophenyl)-3-[2-[(2-fluorophenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol (PubChem CID 58824335) has the molecular formula C25H19F2N5O and a molecular weight of 443.46 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-3-[2-[(2-fluorophenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-3-[2-[(2-fluorophenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
PubChem CID58824335
Molecular FormulaC25H19F2N5O
Molecular Weight443.46 g/mol
Exact Mass443.16
IUPAC Name[2-(4-fluorophenyl)-3-[2-[(2-fluorophenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
SMILESOCc1ccn2c(-c3ccnc(NCc4ccccc4F)n3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C25H19F2N5O/c26-19-7-5-17(6-8-19)23-24(32-12-10-16(15-33)13-22(32)31-23)21-9-11-28-25(30-21)29-14-18-3-1-2-4-20(18)27/h1-13,33H,14-15H2,(H,28,29,30)
InChIKeyLXNHIRNVIICSCD-UHFFFAOYSA-N
XLogP4.84
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.46
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-3-[2-[(2-fluorophenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol?
The IUPAC name of [2-(4-fluorophenyl)-3-[2-[(2-fluorophenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol (CID 58824335) is [2-(4-fluorophenyl)-3-[2-[(2-fluorophenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol.
What is the SMILES notation for [2-(4-fluorophenyl)-3-[2-[(2-fluorophenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol?
The canonical SMILES for [2-(4-fluorophenyl)-3-[2-[(2-fluorophenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol is OCc1ccn2c(-c3ccnc(NCc4ccccc4F)n3)c(-c3ccc(F)cc3)nc2c1.
What is the InChIKey of [2-(4-fluorophenyl)-3-[2-[(2-fluorophenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol?
The InChIKey is LXNHIRNVIICSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F2N5O/c26-19-7-5-17(6-8-19)23-24(32-12-10-16(15-33)13-22(32)31-23)21-9-11-28-25(30-21)29-14-18-3-1-2-4-20(18)27/h1-13,33H,14-15H2,(H,28,29,30).
What are the key properties of [2-(4-fluorophenyl)-3-[2-[(2-fluorophenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol?
[2-(4-fluorophenyl)-3-[2-[(2-fluorophenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol has a molecular weight of 443.46 g/mol, XLogP of 4.84, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-3-[2-[(2-fluorophenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol is sourced from PubChem (CID 58824335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).