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

C26H22FN5O — CID 58824468

IUPAC[2-(4-fluorophenyl)-3-[2-[(3-methylphenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
SMILESCc1cccc(CNc2nccc(-c3c(-c4ccc(F)cc4)nc4cc(CO)ccn34)n2)c1
InChIInChI=1S/C26H22FN5O/c1-17-3-2-4-18(13-17)15-29-26-28-11-9-22(30-26)25-24(20-5-7-21(27)8-6-20)31-23-14-19(16-33)10-12-32(23)25/h2-14,33H,15-16H2,1H3,(H,28,29,30)
InChIKeyJPFCGPXJSLERNA-UHFFFAOYSA-N
MW439.49 g/mol
LogP5.01
Rot. Bonds6

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

[2-(4-fluorophenyl)-3-[2-[(3-methylphenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol (PubChem CID 58824468) has the molecular formula C26H22FN5O and a molecular weight of 439.49 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-3-[2-[(3-methylphenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-3-[2-[(3-methylphenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
PubChem CID58824468
Molecular FormulaC26H22FN5O
Molecular Weight439.49 g/mol
Exact Mass439.18
IUPAC Name[2-(4-fluorophenyl)-3-[2-[(3-methylphenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
SMILESCc1cccc(CNc2nccc(-c3c(-c4ccc(F)cc4)nc4cc(CO)ccn34)n2)c1
InChIInChI=1S/C26H22FN5O/c1-17-3-2-4-18(13-17)15-29-26-28-11-9-22(30-26)25-24(20-5-7-21(27)8-6-20)31-23-14-19(16-33)10-12-32(23)25/h2-14,33H,15-16H2,1H3,(H,28,29,30)
InChIKeyJPFCGPXJSLERNA-UHFFFAOYSA-N
XLogP5.01
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.49
LogP ≤ 55.01
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-[(3-methylphenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol?
The IUPAC name of [2-(4-fluorophenyl)-3-[2-[(3-methylphenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol (CID 58824468) is [2-(4-fluorophenyl)-3-[2-[(3-methylphenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol.
What is the SMILES notation for [2-(4-fluorophenyl)-3-[2-[(3-methylphenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol?
The canonical SMILES for [2-(4-fluorophenyl)-3-[2-[(3-methylphenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol is Cc1cccc(CNc2nccc(-c3c(-c4ccc(F)cc4)nc4cc(CO)ccn34)n2)c1.
What is the InChIKey of [2-(4-fluorophenyl)-3-[2-[(3-methylphenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol?
The InChIKey is JPFCGPXJSLERNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN5O/c1-17-3-2-4-18(13-17)15-29-26-28-11-9-22(30-26)25-24(20-5-7-21(27)8-6-20)31-23-14-19(16-33)10-12-32(23)25/h2-14,33H,15-16H2,1H3,(H,28,29,30).
What are the key properties of [2-(4-fluorophenyl)-3-[2-[(3-methylphenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol?
[2-(4-fluorophenyl)-3-[2-[(3-methylphenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol has a molecular weight of 439.49 g/mol, XLogP of 5.01, 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-[(3-methylphenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol is sourced from PubChem (CID 58824468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).