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

C22H22FN5O — CID 58824534

IUPAC[2-(4-fluorophenyl)-3-[2-(2-methylpropylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
SMILESCC(C)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CO)ccn23)n1
InChIInChI=1S/C22H22FN5O/c1-14(2)12-25-22-24-9-7-18(26-22)21-20(16-3-5-17(23)6-4-16)27-19-11-15(13-29)8-10-28(19)21/h3-11,14,29H,12-13H2,1-2H3,(H,24,25,26)
InChIKeyUXQGHAISYKRCDP-UHFFFAOYSA-N
MW391.45 g/mol
LogP4.16
Rot. Bonds6

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

[2-(4-fluorophenyl)-3-[2-(2-methylpropylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol (PubChem CID 58824534) has the molecular formula C22H22FN5O and a molecular weight of 391.45 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-3-[2-(2-methylpropylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-3-[2-(2-methylpropylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
PubChem CID58824534
Molecular FormulaC22H22FN5O
Molecular Weight391.45 g/mol
Exact Mass391.18
IUPAC Name[2-(4-fluorophenyl)-3-[2-(2-methylpropylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
SMILESCC(C)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CO)ccn23)n1
InChIInChI=1S/C22H22FN5O/c1-14(2)12-25-22-24-9-7-18(26-22)21-20(16-3-5-17(23)6-4-16)27-19-11-15(13-29)8-10-28(19)21/h3-11,14,29H,12-13H2,1-2H3,(H,24,25,26)
InChIKeyUXQGHAISYKRCDP-UHFFFAOYSA-N
XLogP4.16
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 54.16
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-(2-methylpropylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol?
The IUPAC name of [2-(4-fluorophenyl)-3-[2-(2-methylpropylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol (CID 58824534) is [2-(4-fluorophenyl)-3-[2-(2-methylpropylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol.
What is the SMILES notation for [2-(4-fluorophenyl)-3-[2-(2-methylpropylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol?
The canonical SMILES for [2-(4-fluorophenyl)-3-[2-(2-methylpropylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol is CC(C)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CO)ccn23)n1.
What is the InChIKey of [2-(4-fluorophenyl)-3-[2-(2-methylpropylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol?
The InChIKey is UXQGHAISYKRCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O/c1-14(2)12-25-22-24-9-7-18(26-22)21-20(16-3-5-17(23)6-4-16)27-19-11-15(13-29)8-10-28(19)21/h3-11,14,29H,12-13H2,1-2H3,(H,24,25,26).
What are the key properties of [2-(4-fluorophenyl)-3-[2-(2-methylpropylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol?
[2-(4-fluorophenyl)-3-[2-(2-methylpropylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol has a molecular weight of 391.45 g/mol, XLogP of 4.16, 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-(2-methylpropylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol is sourced from PubChem (CID 58824534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).