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

C25H18ClF2N5O — CID 58824541

IUPAC[3-[2-[(2-chloro-6-fluorophenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol
SMILESOCc1ccn2c(-c3ccnc(NCc4c(F)cccc4Cl)n3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C25H18ClF2N5O/c26-19-2-1-3-20(28)18(19)13-30-25-29-10-8-21(31-25)24-23(16-4-6-17(27)7-5-16)32-22-12-15(14-34)9-11-33(22)24/h1-12,34H,13-14H2,(H,29,30,31)
InChIKeyNUHLCEXARZVYCP-UHFFFAOYSA-N
MW477.90 g/mol
LogP5.49
Rot. Bonds6

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

[3-[2-[(2-chloro-6-fluorophenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol (PubChem CID 58824541) has the molecular formula C25H18ClF2N5O and a molecular weight of 477.90 g/mol. Its IUPAC name is [3-[2-[(2-chloro-6-fluorophenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol.

Molecular Properties

Compound Name[3-[2-[(2-chloro-6-fluorophenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol
PubChem CID58824541
Molecular FormulaC25H18ClF2N5O
Molecular Weight477.90 g/mol
Exact Mass477.12
IUPAC Name[3-[2-[(2-chloro-6-fluorophenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol
SMILESOCc1ccn2c(-c3ccnc(NCc4c(F)cccc4Cl)n3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C25H18ClF2N5O/c26-19-2-1-3-20(28)18(19)13-30-25-29-10-8-21(31-25)24-23(16-4-6-17(27)7-5-16)32-22-12-15(14-34)9-11-33(22)24/h1-12,34H,13-14H2,(H,29,30,31)
InChIKeyNUHLCEXARZVYCP-UHFFFAOYSA-N
XLogP5.49
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.90
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[3-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol
CID 58824424
[3-[2-(butylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol
CID 58824295
[2-(4-fluorophenyl)-3-[2-(2-methylpropylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
CID 58824534
[3-[2-(tert-butylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol
CID 58824339
[2-(4-fluorophenyl)-3-[2-[[3-(1H-imidazol-5-yl)phenyl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
CID 58824590
[2-(4-fluorophenyl)-3-[2-(3-methoxypropylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
CID 58824528
[2-(4-ethylphenyl)-3-[2-[(3-methylphenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
CID 142198950
4-[7-(aminomethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(2,4-difluorophenyl)methyl]pyrimidin-2-amine
CID 142199324
N-[(2,6-difluorophenyl)methyl]-4-[7-(2-methylbutyl)-2-[4-[(E)-prop-1-enyl]phenyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
CID 142199025
[2-(4-fluorophenyl)-3-[2-[1-(1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
CID 58824537
[2-(4-fluorophenyl)-3-(2-morpholin-4-ylpyrimidin-4-yl)imidazo[1,2-a]pyridin-7-yl]methanol
CID 58824388
4-[7-[(cyclopropylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidin-2-amine
CID 58824293

Frequently Asked Questions

What is the IUPAC name of [3-[2-[(2-chloro-6-fluorophenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol?
The IUPAC name of [3-[2-[(2-chloro-6-fluorophenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol (CID 58824541) is [3-[2-[(2-chloro-6-fluorophenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol.
What is the SMILES notation for [3-[2-[(2-chloro-6-fluorophenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol?
The canonical SMILES for [3-[2-[(2-chloro-6-fluorophenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol is OCc1ccn2c(-c3ccnc(NCc4c(F)cccc4Cl)n3)c(-c3ccc(F)cc3)nc2c1.
What is the InChIKey of [3-[2-[(2-chloro-6-fluorophenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol?
The InChIKey is NUHLCEXARZVYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClF2N5O/c26-19-2-1-3-20(28)18(19)13-30-25-29-10-8-21(31-25)24-23(16-4-6-17(27)7-5-16)32-22-12-15(14-34)9-11-33(22)24/h1-12,34H,13-14H2,(H,29,30,31).
What are the key properties of [3-[2-[(2-chloro-6-fluorophenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol?
[3-[2-[(2-chloro-6-fluorophenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol has a molecular weight of 477.90 g/mol, XLogP of 5.49, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-[(2-chloro-6-fluorophenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol is sourced from PubChem (CID 58824541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).