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

C24H21FN6OS — CID 58824500

IUPAC[2-(4-fluorophenyl)-3-[2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
SMILESCc1nc(C(C)Nc2nccc(-c3c(-c4ccc(F)cc4)nc4cc(CO)ccn34)n2)cs1
InChIInChI=1S/C24H21FN6OS/c1-14(20-13-33-15(2)28-20)27-24-26-9-7-19(29-24)23-22(17-3-5-18(25)6-4-17)30-21-11-16(12-32)8-10-31(21)23/h3-11,13-14,32H,12H2,1-2H3,(H,26,27,29)
InChIKeyISJBDUONNROXEX-UHFFFAOYSA-N
MW460.54 g/mol
LogP5.03
Rot. Bonds6

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

[2-(4-fluorophenyl)-3-[2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol (PubChem CID 58824500) has the molecular formula C24H21FN6OS and a molecular weight of 460.54 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-3-[2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-3-[2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
PubChem CID58824500
Molecular FormulaC24H21FN6OS
Molecular Weight460.54 g/mol
Exact Mass460.15
IUPAC Name[2-(4-fluorophenyl)-3-[2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
SMILESCc1nc(C(C)Nc2nccc(-c3c(-c4ccc(F)cc4)nc4cc(CO)ccn34)n2)cs1
InChIInChI=1S/C24H21FN6OS/c1-14(20-13-33-15(2)28-20)27-24-26-9-7-19(29-24)23-22(17-3-5-18(25)6-4-17)30-21-11-16(12-32)8-10-31(21)23/h3-11,13-14,32H,12H2,1-2H3,(H,26,27,29)
InChIKeyISJBDUONNROXEX-UHFFFAOYSA-N
XLogP5.03
TPSA88.23 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.54
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-3-[2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol?
The IUPAC name of [2-(4-fluorophenyl)-3-[2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol (CID 58824500) is [2-(4-fluorophenyl)-3-[2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol.
What is the SMILES notation for [2-(4-fluorophenyl)-3-[2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol?
The canonical SMILES for [2-(4-fluorophenyl)-3-[2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol is Cc1nc(C(C)Nc2nccc(-c3c(-c4ccc(F)cc4)nc4cc(CO)ccn34)n2)cs1.
What is the InChIKey of [2-(4-fluorophenyl)-3-[2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol?
The InChIKey is ISJBDUONNROXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN6OS/c1-14(20-13-33-15(2)28-20)27-24-26-9-7-19(29-24)23-22(17-3-5-18(25)6-4-17)30-21-11-16(12-32)8-10-31(21)23/h3-11,13-14,32H,12H2,1-2H3,(H,26,27,29).
What are the key properties of [2-(4-fluorophenyl)-3-[2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol?
[2-(4-fluorophenyl)-3-[2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol has a molecular weight of 460.54 g/mol, XLogP of 5.03, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-3-[2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol is sourced from PubChem (CID 58824500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).