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

C23H19FN6OS — CID 58824537

IUPAC[2-(4-fluorophenyl)-3-[2-[1-(1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
SMILESCC(Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CO)ccn23)n1)c1cscn1
InChIInChI=1S/C23H19FN6OS/c1-14(19-12-32-13-26-19)27-23-25-8-6-18(28-23)22-21(16-2-4-17(24)5-3-16)29-20-10-15(11-31)7-9-30(20)22/h2-10,12-14,31H,11H2,1H3,(H,25,27,28)
InChIKeyNTWWCWMQMGUPBP-UHFFFAOYSA-N
MW446.51 g/mol
LogP4.72
Rot. Bonds6

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

[2-(4-fluorophenyl)-3-[2-[1-(1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol (PubChem CID 58824537) has the molecular formula C23H19FN6OS and a molecular weight of 446.51 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-3-[2-[1-(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-(1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
PubChem CID58824537
Molecular FormulaC23H19FN6OS
Molecular Weight446.51 g/mol
Exact Mass446.13
IUPAC Name[2-(4-fluorophenyl)-3-[2-[1-(1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
SMILESCC(Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CO)ccn23)n1)c1cscn1
InChIInChI=1S/C23H19FN6OS/c1-14(19-12-32-13-26-19)27-23-25-8-6-18(28-23)22-21(16-2-4-17(24)5-3-16)29-20-10-15(11-31)7-9-30(20)22/h2-10,12-14,31H,11H2,1H3,(H,25,27,28)
InChIKeyNTWWCWMQMGUPBP-UHFFFAOYSA-N
XLogP4.72
TPSA88.23 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 54.72
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-(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-(1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol (CID 58824537) is [2-(4-fluorophenyl)-3-[2-[1-(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-(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-(1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol is CC(Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CO)ccn23)n1)c1cscn1.
What is the InChIKey of [2-(4-fluorophenyl)-3-[2-[1-(1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol?
The InChIKey is NTWWCWMQMGUPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN6OS/c1-14(19-12-32-13-26-19)27-23-25-8-6-18(28-23)22-21(16-2-4-17(24)5-3-16)29-20-10-15(11-31)7-9-30(20)22/h2-10,12-14,31H,11H2,1H3,(H,25,27,28).
What are the key properties of [2-(4-fluorophenyl)-3-[2-[1-(1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol?
[2-(4-fluorophenyl)-3-[2-[1-(1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol has a molecular weight of 446.51 g/mol, XLogP of 4.72, 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-(1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol is sourced from PubChem (CID 58824537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).