(5-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)anilino]methanol

C28H36FN5O2 — CID 170092849

IUPAC(5-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)anilino]methanol
SMILESCc1cc(F)c(NC(O)N2CCC=C(C(C)(C)C)C2)cc1-c1cc(N2CCOCC2)c2nccn2c1
InChIInChI=1S/C28H36FN5O2/c1-19-14-23(29)24(31-27(35)34-8-5-6-21(18-34)28(2,3)4)16-22(19)20-15-25(32-10-12-36-13-11-32)26-30-7-9-33(26)17-20/h6-7,9,14-17,27,31,35H,5,8,10-13,18H2,1-4H3
InChIKeyHFKRRKSOTLRERN-UHFFFAOYSA-N
MW493.63 g/mol
LogP4.65
Rot. Bonds5

About (5-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)anilino]methanol

(5-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)anilino]methanol (PubChem CID 170092849) has the molecular formula C28H36FN5O2 and a molecular weight of 493.63 g/mol. Its IUPAC name is (5-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)anilino]methanol.

Molecular Properties

Compound Name(5-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)anilino]methanol
PubChem CID170092849
Molecular FormulaC28H36FN5O2
Molecular Weight493.63 g/mol
Exact Mass493.29
IUPAC Name(5-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)anilino]methanol
SMILESCc1cc(F)c(NC(O)N2CCC=C(C(C)(C)C)C2)cc1-c1cc(N2CCOCC2)c2nccn2c1
InChIInChI=1S/C28H36FN5O2/c1-19-14-23(29)24(31-27(35)34-8-5-6-21(18-34)28(2,3)4)16-22(19)20-15-25(32-10-12-36-13-11-32)26-30-7-9-33(26)17-20/h6-7,9,14-17,27,31,35H,5,8,10-13,18H2,1-4H3
InChIKeyHFKRRKSOTLRERN-UHFFFAOYSA-N
XLogP4.65
TPSA65.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.63
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-tert-butyl-N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]triazole-4-carboxamide
CID 169077945
(3R)-N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-1-propan-2-ylpyrrolidine-3-carboxamide
CID 169077628
2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)benzamide
CID 169130860
N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-3-(1-methylcyclopropyl)pyrrolidine-1-carboxamide
CID 169077653
2-(2-azabicyclo[2.1.1]hexan-2-yl)-N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]pyridine-4-carboxamide
CID 169077851
3-[1-[difluoro(phosphanyl)methyl]cyclopropyl]-N-[2,4-dimethyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]pyrrolidine-1-carboxamide
CID 170234750
1-tert-butyl-5-fluoro-N-[2-fluoro-4-methyl-5-[8-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]pyrazole-4-carboxamide
CID 169077749
1-tert-butyl-3-fluoro-N-[5-fluoro-4-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]pyrazole-4-carboxamide
CID 169077818
2-tert-butyl-N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-1,3-oxazole-4-carboxamide
CID 169077678
N-[2-fluoro-4-methyl-5-(2-methyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]pyrrolidine-1-carboxamide
CID 169130879
N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-1-(trifluoromethyl)pyrrole-3-carboxamide
CID 170234775
1-tert-butyl-3-fluoro-N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]pyrazole-4-carboxamide
CID 169077877

Frequently Asked Questions

What is the IUPAC name of (5-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)anilino]methanol?
The IUPAC name of (5-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)anilino]methanol (CID 170092849) is (5-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)anilino]methanol.
What is the SMILES notation for (5-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)anilino]methanol?
The canonical SMILES for (5-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)anilino]methanol is Cc1cc(F)c(NC(O)N2CCC=C(C(C)(C)C)C2)cc1-c1cc(N2CCOCC2)c2nccn2c1.
What is the InChIKey of (5-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)anilino]methanol?
The InChIKey is HFKRRKSOTLRERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36FN5O2/c1-19-14-23(29)24(31-27(35)34-8-5-6-21(18-34)28(2,3)4)16-22(19)20-15-25(32-10-12-36-13-11-32)26-30-7-9-33(26)17-20/h6-7,9,14-17,27,31,35H,5,8,10-13,18H2,1-4H3.
What are the key properties of (5-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)anilino]methanol?
(5-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)anilino]methanol has a molecular weight of 493.63 g/mol, XLogP of 4.65, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)anilino]methanol is sourced from PubChem (CID 170092849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).