[[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]amino]-[2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]methanol

C23H22F3N5O2S — CID 143902951

IUPAC[[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]amino]-[2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]methanol
SMILESOC(Nc1ncc(CN2CCOCC2)s1)c1cccn2cc(-c3cccc(C(F)(F)F)c3)nc12
InChIInChI=1S/C23H22F3N5O2S/c24-23(25,26)16-4-1-3-15(11-16)19-14-31-6-2-5-18(20(31)28-19)21(32)29-22-27-12-17(34-22)13-30-7-9-33-10-8-30/h1-6,11-12,14,21,32H,7-10,13H2,(H,27,29)
InChIKeyQKHPEOOLXQRCQE-UHFFFAOYSA-N
MW489.52 g/mol
LogP4.41
Rot. Bonds6

About [[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]amino]-[2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]methanol

[[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]amino]-[2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]methanol (PubChem CID 143902951) has the molecular formula C23H22F3N5O2S and a molecular weight of 489.52 g/mol. Its IUPAC name is [[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]amino]-[2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]methanol.

Molecular Properties

Compound Name[[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]amino]-[2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]methanol
PubChem CID143902951
Molecular FormulaC23H22F3N5O2S
Molecular Weight489.52 g/mol
Exact Mass489.14
IUPAC Name[[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]amino]-[2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]methanol
SMILESOC(Nc1ncc(CN2CCOCC2)s1)c1cccn2cc(-c3cccc(C(F)(F)F)c3)nc12
InChIInChI=1S/C23H22F3N5O2S/c24-23(25,26)16-4-1-3-15(11-16)19-14-31-6-2-5-18(20(31)28-19)21(32)29-22-27-12-17(34-22)13-30-7-9-33-10-8-30/h1-6,11-12,14,21,32H,7-10,13H2,(H,27,29)
InChIKeyQKHPEOOLXQRCQE-UHFFFAOYSA-N
XLogP4.41
TPSA74.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.52
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(3-{8-[(2-Aminoethyl)amino]-12-methyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-4-yl}phenyl)methanol
CID 25093439
US9670204, 239 (2-(2-ethyl-3-((4-(4-fluorophenyl)thiazol-2-yl)(methyl)amino)imidazo[1,2-a]pyridin-6-yl)-4,5-dihydro-oxazol-4-yl)methanol
CID 117628442
US10738057, Example 21
CID 138562132
US10738057, Example 34
CID 138619380
US11225486, Example 70
CID 138619388
5-[8-(2-fluorophenyl)imidazo[1,2-a]pyrazin-6-yl]-N-(oxan-4-yl)-1,3-thiazol-2-amine
CID 44553268
N-(1-ethoxypropan-2-yl)-5-[8-(2-fluorophenyl)imidazo[1,2-a]pyrazin-6-yl]-1,3-thiazol-2-amine
CID 44553271
5-[8-(2,4-difluorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-(oxan-4-yl)-1,3-thiazol-2-amine
CID 58207928
[6-[2-[[(2R)-butan-2-yl]amino]-1,3-thiazol-5-yl]-8-(2-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]methanol
CID 58207931
[8-(2-Fluorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridin-2-yl]methanol
CID 58207942
[8-(2,4-Difluorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridin-2-yl]methanol
CID 58207948
5-[8-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-(oxan-4-yl)-1,3-thiazol-2-amine
CID 58207994

Frequently Asked Questions

What is the IUPAC name of [[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]amino]-[2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]methanol?
The IUPAC name of [[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]amino]-[2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]methanol (CID 143902951) is [[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]amino]-[2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]methanol.
What is the SMILES notation for [[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]amino]-[2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]methanol?
The canonical SMILES for [[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]amino]-[2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]methanol is OC(Nc1ncc(CN2CCOCC2)s1)c1cccn2cc(-c3cccc(C(F)(F)F)c3)nc12.
What is the InChIKey of [[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]amino]-[2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]methanol?
The InChIKey is QKHPEOOLXQRCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N5O2S/c24-23(25,26)16-4-1-3-15(11-16)19-14-31-6-2-5-18(20(31)28-19)21(32)29-22-27-12-17(34-22)13-30-7-9-33-10-8-30/h1-6,11-12,14,21,32H,7-10,13H2,(H,27,29).
What are the key properties of [[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]amino]-[2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]methanol?
[[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]amino]-[2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]methanol has a molecular weight of 489.52 g/mol, XLogP of 4.41, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]amino]-[2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]methanol is sourced from PubChem (CID 143902951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).