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

C24H26FN5O — CID 58824360

IUPAC[2-(4-fluorophenyl)-3-[2-(4-methylpentan-2-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
SMILESCC(C)CC(C)Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CO)ccn23)n1
InChIInChI=1S/C24H26FN5O/c1-15(2)12-16(3)27-24-26-10-8-20(28-24)23-22(18-4-6-19(25)7-5-18)29-21-13-17(14-31)9-11-30(21)23/h4-11,13,15-16,31H,12,14H2,1-3H3,(H,26,27,28)
InChIKeyVPPWXUJFIJOVLM-UHFFFAOYSA-N
MW419.50 g/mol
LogP4.94
Rot. Bonds7

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

[2-(4-fluorophenyl)-3-[2-(4-methylpentan-2-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol (PubChem CID 58824360) has the molecular formula C24H26FN5O and a molecular weight of 419.50 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-3-[2-(4-methylpentan-2-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-3-[2-(4-methylpentan-2-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
PubChem CID58824360
Molecular FormulaC24H26FN5O
Molecular Weight419.50 g/mol
Exact Mass419.21
IUPAC Name[2-(4-fluorophenyl)-3-[2-(4-methylpentan-2-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
SMILESCC(C)CC(C)Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CO)ccn23)n1
InChIInChI=1S/C24H26FN5O/c1-15(2)12-16(3)27-24-26-10-8-20(28-24)23-22(18-4-6-19(25)7-5-18)29-21-13-17(14-31)9-11-30(21)23/h4-11,13,15-16,31H,12,14H2,1-3H3,(H,26,27,28)
InChIKeyVPPWXUJFIJOVLM-UHFFFAOYSA-N
XLogP4.94
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 54.94
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-(4-methylpentan-2-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol?
The IUPAC name of [2-(4-fluorophenyl)-3-[2-(4-methylpentan-2-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol (CID 58824360) is [2-(4-fluorophenyl)-3-[2-(4-methylpentan-2-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol.
What is the SMILES notation for [2-(4-fluorophenyl)-3-[2-(4-methylpentan-2-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol?
The canonical SMILES for [2-(4-fluorophenyl)-3-[2-(4-methylpentan-2-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol is CC(C)CC(C)Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CO)ccn23)n1.
What is the InChIKey of [2-(4-fluorophenyl)-3-[2-(4-methylpentan-2-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol?
The InChIKey is VPPWXUJFIJOVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O/c1-15(2)12-16(3)27-24-26-10-8-20(28-24)23-22(18-4-6-19(25)7-5-18)29-21-13-17(14-31)9-11-30(21)23/h4-11,13,15-16,31H,12,14H2,1-3H3,(H,26,27,28).
What are the key properties of [2-(4-fluorophenyl)-3-[2-(4-methylpentan-2-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol?
[2-(4-fluorophenyl)-3-[2-(4-methylpentan-2-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol has a molecular weight of 419.50 g/mol, XLogP of 4.94, 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-(4-methylpentan-2-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol is sourced from PubChem (CID 58824360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).