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

C25H18F3N5O — CID 58824297

IUPAC[3-[2-[(3,4-difluorophenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol
SMILESOCc1ccn2c(-c3ccnc(NCc4ccc(F)c(F)c4)n3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C25H18F3N5O/c26-18-4-2-17(3-5-18)23-24(33-10-8-16(14-34)12-22(33)32-23)21-7-9-29-25(31-21)30-13-15-1-6-19(27)20(28)11-15/h1-12,34H,13-14H2,(H,29,30,31)
InChIKeyDAENKMNKOYPVKN-UHFFFAOYSA-N
MW461.45 g/mol
LogP4.98
Rot. Bonds6

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

[3-[2-[(3,4-difluorophenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol (PubChem CID 58824297) has the molecular formula C25H18F3N5O and a molecular weight of 461.45 g/mol. Its IUPAC name is [3-[2-[(3,4-difluorophenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol.

Molecular Properties

Compound Name[3-[2-[(3,4-difluorophenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol
PubChem CID58824297
Molecular FormulaC25H18F3N5O
Molecular Weight461.45 g/mol
Exact Mass461.15
IUPAC Name[3-[2-[(3,4-difluorophenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol
SMILESOCc1ccn2c(-c3ccnc(NCc4ccc(F)c(F)c4)n3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C25H18F3N5O/c26-18-4-2-17(3-5-18)23-24(33-10-8-16(14-34)12-22(33)32-23)21-7-9-29-25(31-21)30-13-15-1-6-19(27)20(28)11-15/h1-12,34H,13-14H2,(H,29,30,31)
InChIKeyDAENKMNKOYPVKN-UHFFFAOYSA-N
XLogP4.98
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.45
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[2-[(3,4-difluorophenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol?
The IUPAC name of [3-[2-[(3,4-difluorophenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol (CID 58824297) is [3-[2-[(3,4-difluorophenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol.
What is the SMILES notation for [3-[2-[(3,4-difluorophenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol?
The canonical SMILES for [3-[2-[(3,4-difluorophenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol is OCc1ccn2c(-c3ccnc(NCc4ccc(F)c(F)c4)n3)c(-c3ccc(F)cc3)nc2c1.
What is the InChIKey of [3-[2-[(3,4-difluorophenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol?
The InChIKey is DAENKMNKOYPVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F3N5O/c26-18-4-2-17(3-5-18)23-24(33-10-8-16(14-34)12-22(33)32-23)21-7-9-29-25(31-21)30-13-15-1-6-19(27)20(28)11-15/h1-12,34H,13-14H2,(H,29,30,31).
What are the key properties of [3-[2-[(3,4-difluorophenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol?
[3-[2-[(3,4-difluorophenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol has a molecular weight of 461.45 g/mol, XLogP of 4.98, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-[(3,4-difluorophenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol is sourced from PubChem (CID 58824297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).