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

C27H24FN5O — CID 58824515

IUPAC[2-(4-fluorophenyl)-3-[2-(1-phenylpropylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
SMILESCCC(Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CO)ccn23)n1)c1ccccc1
InChIInChI=1S/C27H24FN5O/c1-2-22(19-6-4-3-5-7-19)30-27-29-14-12-23(31-27)26-25(20-8-10-21(28)11-9-20)32-24-16-18(17-34)13-15-33(24)26/h3-16,22,34H,2,17H2,1H3,(H,29,30,31)
InChIKeyANPQHRDEPJYQKD-UHFFFAOYSA-N
MW453.52 g/mol
LogP5.65
Rot. Bonds7

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

[2-(4-fluorophenyl)-3-[2-(1-phenylpropylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol (PubChem CID 58824515) has the molecular formula C27H24FN5O and a molecular weight of 453.52 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-3-[2-(1-phenylpropylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-3-[2-(1-phenylpropylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
PubChem CID58824515
Molecular FormulaC27H24FN5O
Molecular Weight453.52 g/mol
Exact Mass453.20
IUPAC Name[2-(4-fluorophenyl)-3-[2-(1-phenylpropylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
SMILESCCC(Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CO)ccn23)n1)c1ccccc1
InChIInChI=1S/C27H24FN5O/c1-2-22(19-6-4-3-5-7-19)30-27-29-14-12-23(31-27)26-25(20-8-10-21(28)11-9-20)32-24-16-18(17-34)13-15-33(24)26/h3-16,22,34H,2,17H2,1H3,(H,29,30,31)
InChIKeyANPQHRDEPJYQKD-UHFFFAOYSA-N
XLogP5.65
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.52
LogP ≤ 55.65
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-(1-phenylpropylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol?
The IUPAC name of [2-(4-fluorophenyl)-3-[2-(1-phenylpropylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol (CID 58824515) is [2-(4-fluorophenyl)-3-[2-(1-phenylpropylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol.
What is the SMILES notation for [2-(4-fluorophenyl)-3-[2-(1-phenylpropylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol?
The canonical SMILES for [2-(4-fluorophenyl)-3-[2-(1-phenylpropylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol is CCC(Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CO)ccn23)n1)c1ccccc1.
What is the InChIKey of [2-(4-fluorophenyl)-3-[2-(1-phenylpropylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol?
The InChIKey is ANPQHRDEPJYQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN5O/c1-2-22(19-6-4-3-5-7-19)30-27-29-14-12-23(31-27)26-25(20-8-10-21(28)11-9-20)32-24-16-18(17-34)13-15-33(24)26/h3-16,22,34H,2,17H2,1H3,(H,29,30,31).
What are the key properties of [2-(4-fluorophenyl)-3-[2-(1-phenylpropylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol?
[2-(4-fluorophenyl)-3-[2-(1-phenylpropylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol has a molecular weight of 453.52 g/mol, XLogP of 5.65, 7 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-(1-phenylpropylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol is sourced from PubChem (CID 58824515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).