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

C25H19ClFN5O — CID 58824431

IUPAC[3-[2-[(2-chlorophenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol
SMILESOCc1ccn2c(-c3ccnc(NCc4ccccc4Cl)n3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C25H19ClFN5O/c26-20-4-2-1-3-18(20)14-29-25-28-11-9-21(30-25)24-23(17-5-7-19(27)8-6-17)31-22-13-16(15-33)10-12-32(22)24/h1-13,33H,14-15H2,(H,28,29,30)
InChIKeyPCDWGUQXWAPTPD-UHFFFAOYSA-N
MW459.91 g/mol
LogP5.36
Rot. Bonds6

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

[3-[2-[(2-chlorophenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol (PubChem CID 58824431) has the molecular formula C25H19ClFN5O and a molecular weight of 459.91 g/mol. Its IUPAC name is [3-[2-[(2-chlorophenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol.

Molecular Properties

Compound Name[3-[2-[(2-chlorophenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol
PubChem CID58824431
Molecular FormulaC25H19ClFN5O
Molecular Weight459.91 g/mol
Exact Mass459.13
IUPAC Name[3-[2-[(2-chlorophenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol
SMILESOCc1ccn2c(-c3ccnc(NCc4ccccc4Cl)n3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C25H19ClFN5O/c26-20-4-2-1-3-18(20)14-29-25-28-11-9-21(30-25)24-23(17-5-7-19(27)8-6-17)31-22-13-16(15-33)10-12-32(22)24/h1-13,33H,14-15H2,(H,28,29,30)
InChIKeyPCDWGUQXWAPTPD-UHFFFAOYSA-N
XLogP5.36
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.91
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[2-[(2-chlorophenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol?
The IUPAC name of [3-[2-[(2-chlorophenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol (CID 58824431) is [3-[2-[(2-chlorophenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol.
What is the SMILES notation for [3-[2-[(2-chlorophenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol?
The canonical SMILES for [3-[2-[(2-chlorophenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol is OCc1ccn2c(-c3ccnc(NCc4ccccc4Cl)n3)c(-c3ccc(F)cc3)nc2c1.
What is the InChIKey of [3-[2-[(2-chlorophenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol?
The InChIKey is PCDWGUQXWAPTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClFN5O/c26-20-4-2-1-3-18(20)14-29-25-28-11-9-21(30-25)24-23(17-5-7-19(27)8-6-17)31-22-13-16(15-33)10-12-32(22)24/h1-13,33H,14-15H2,(H,28,29,30).
What are the key properties of [3-[2-[(2-chlorophenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol?
[3-[2-[(2-chlorophenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol has a molecular weight of 459.91 g/mol, XLogP of 5.36, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-[(2-chlorophenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol is sourced from PubChem (CID 58824431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).