[2-(4-fluorophenyl)-3-[2-(1,3-thiazol-5-ylmethylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol

C22H17FN6OS — CID 58824457

IUPAC[2-(4-fluorophenyl)-3-[2-(1,3-thiazol-5-ylmethylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
SMILESOCc1ccn2c(-c3ccnc(NCc4cncs4)n3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C22H17FN6OS/c23-16-3-1-15(2-4-16)20-21(29-8-6-14(12-30)9-19(29)28-20)18-5-7-25-22(27-18)26-11-17-10-24-13-31-17/h1-10,13,30H,11-12H2,(H,25,26,27)
InChIKeyLNXRFODBRSYSGT-UHFFFAOYSA-N
MW432.48 g/mol
LogP4.16
Rot. Bonds6

About [2-(4-fluorophenyl)-3-[2-(1,3-thiazol-5-ylmethylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol

[2-(4-fluorophenyl)-3-[2-(1,3-thiazol-5-ylmethylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol (PubChem CID 58824457) has the molecular formula C22H17FN6OS and a molecular weight of 432.48 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-3-[2-(1,3-thiazol-5-ylmethylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-3-[2-(1,3-thiazol-5-ylmethylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
PubChem CID58824457
Molecular FormulaC22H17FN6OS
Molecular Weight432.48 g/mol
Exact Mass432.12
IUPAC Name[2-(4-fluorophenyl)-3-[2-(1,3-thiazol-5-ylmethylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
SMILESOCc1ccn2c(-c3ccnc(NCc4cncs4)n3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C22H17FN6OS/c23-16-3-1-15(2-4-16)20-21(29-8-6-14(12-30)9-19(29)28-20)18-5-7-25-22(27-18)26-11-17-10-24-13-31-17/h1-10,13,30H,11-12H2,(H,25,26,27)
InChIKeyLNXRFODBRSYSGT-UHFFFAOYSA-N
XLogP4.16
TPSA88.23 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 54.16
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-(1,3-thiazol-5-ylmethylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol?
The IUPAC name of [2-(4-fluorophenyl)-3-[2-(1,3-thiazol-5-ylmethylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol (CID 58824457) is [2-(4-fluorophenyl)-3-[2-(1,3-thiazol-5-ylmethylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol.
What is the SMILES notation for [2-(4-fluorophenyl)-3-[2-(1,3-thiazol-5-ylmethylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol?
The canonical SMILES for [2-(4-fluorophenyl)-3-[2-(1,3-thiazol-5-ylmethylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol is OCc1ccn2c(-c3ccnc(NCc4cncs4)n3)c(-c3ccc(F)cc3)nc2c1.
What is the InChIKey of [2-(4-fluorophenyl)-3-[2-(1,3-thiazol-5-ylmethylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol?
The InChIKey is LNXRFODBRSYSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN6OS/c23-16-3-1-15(2-4-16)20-21(29-8-6-14(12-30)9-19(29)28-20)18-5-7-25-22(27-18)26-11-17-10-24-13-31-17/h1-10,13,30H,11-12H2,(H,25,26,27).
What are the key properties of [2-(4-fluorophenyl)-3-[2-(1,3-thiazol-5-ylmethylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol?
[2-(4-fluorophenyl)-3-[2-(1,3-thiazol-5-ylmethylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol has a molecular weight of 432.48 g/mol, XLogP of 4.16, 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-(1,3-thiazol-5-ylmethylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol is sourced from PubChem (CID 58824457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).