(1R)-2-[4-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methylamino]piperidin-1-yl]-1-(6-methoxyquinolin-4-yl)ethanol

C25H28FN5O2 — CID 44535223

IUPAC(1R)-2-[4-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methylamino]piperidin-1-yl]-1-(6-methoxyquinolin-4-yl)ethanol
SMILESCOc1ccc2nccc([C@@H](O)CN3CCC(NCc4cn5cc(F)ccc5n4)CC3)c2c1
InChIInChI=1S/C25H28FN5O2/c1-33-20-3-4-23-22(12-20)21(6-9-27-23)24(32)16-30-10-7-18(8-11-30)28-13-19-15-31-14-17(26)2-5-25(31)29-19/h2-6,9,12,14-15,18,24,28,32H,7-8,10-11,13,16H2,1H3/t24-/m0/s1
InChIKeyKVGGYVKJTJZGJS-DEOSSOPVSA-N
MW449.53 g/mol
LogP3.32
Rot. Bonds7

About (1R)-2-[4-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methylamino]piperidin-1-yl]-1-(6-methoxyquinolin-4-yl)ethanol

(1R)-2-[4-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methylamino]piperidin-1-yl]-1-(6-methoxyquinolin-4-yl)ethanol (PubChem CID 44535223) has the molecular formula C25H28FN5O2 and a molecular weight of 449.53 g/mol. Its IUPAC name is (1R)-2-[4-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methylamino]piperidin-1-yl]-1-(6-methoxyquinolin-4-yl)ethanol.

Molecular Properties

Compound Name(1R)-2-[4-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methylamino]piperidin-1-yl]-1-(6-methoxyquinolin-4-yl)ethanol
PubChem CID44535223
Molecular FormulaC25H28FN5O2
Molecular Weight449.53 g/mol
Exact Mass449.22
IUPAC Name(1R)-2-[4-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methylamino]piperidin-1-yl]-1-(6-methoxyquinolin-4-yl)ethanol
SMILESCOc1ccc2nccc([C@@H](O)CN3CCC(NCc4cn5cc(F)ccc5n4)CC3)c2c1
InChIInChI=1S/C25H28FN5O2/c1-33-20-3-4-23-22(12-20)21(6-9-27-23)24(32)16-30-10-7-18(8-11-30)28-13-19-15-31-14-17(26)2-5-25(31)29-19/h2-6,9,12,14-15,18,24,28,32H,7-8,10-11,13,16H2,1H3/t24-/m0/s1
InChIKeyKVGGYVKJTJZGJS-DEOSSOPVSA-N
XLogP3.32
TPSA74.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (1R)-2-[4-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methylamino]piperidin-1-yl]-1-(6-methoxyquinolin-4-yl)ethanol with MolForge

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Launch Full Analysis

Related Compounds

2-[[[1-[(2S)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]quinolin-8-ol
CID 68982536
1-(6-methoxyquinolin-4-yl)-2-[4-(1H-pyrrolo[2,3-b]pyridin-2-ylmethylamino)piperidin-1-yl]ethanol
CID 22281705
(1R)-2-[4-[(3-fluoro-1H-indol-2-yl)methylamino]piperidin-1-yl]-1-(6-methoxyquinolin-4-yl)ethanol;oxalic acid
CID 44535578
(1R)-2-[4-(1H-benzimidazol-2-ylmethylamino)piperidin-1-yl]-1-(6-methoxyquinolin-4-yl)ethanol;oxalic acid
CID 44534836
1-[[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]amino]-3-phenylpropan-2-ol
CID 44535107
(1R)-1-(6-methoxyquinolin-4-yl)-2-[4-[[5-(trifluoromethyl)thieno[3,2-b]pyridin-6-yl]methylamino]piperidin-1-yl]ethanol
CID 44535718
6-[[[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-3H-quinazolin-4-one;oxalic acid
CID 135929376
6-[[[1-[(2S)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-3-methyl-1,3-benzoxazole-2-thione
CID 87801455
8-hydroxy-3-[[[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-2H-isoquinolin-1-one
CID 44535820
8-hydroxy-3-[[[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-2H-isoquinolin-1-one;hydrochloride
CID 44535819
tert-butyl 2-[2-[[[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]pyrrolo[2,3-b]pyridin-1-yl]acetate
CID 68983276
4,6-difluoro-N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-1H-indole-2-carboxamide
CID 44535229

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[4-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methylamino]piperidin-1-yl]-1-(6-methoxyquinolin-4-yl)ethanol?
The IUPAC name of (1R)-2-[4-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methylamino]piperidin-1-yl]-1-(6-methoxyquinolin-4-yl)ethanol (CID 44535223) is (1R)-2-[4-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methylamino]piperidin-1-yl]-1-(6-methoxyquinolin-4-yl)ethanol.
What is the SMILES notation for (1R)-2-[4-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methylamino]piperidin-1-yl]-1-(6-methoxyquinolin-4-yl)ethanol?
The canonical SMILES for (1R)-2-[4-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methylamino]piperidin-1-yl]-1-(6-methoxyquinolin-4-yl)ethanol is COc1ccc2nccc([C@@H](O)CN3CCC(NCc4cn5cc(F)ccc5n4)CC3)c2c1.
What is the InChIKey of (1R)-2-[4-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methylamino]piperidin-1-yl]-1-(6-methoxyquinolin-4-yl)ethanol?
The InChIKey is KVGGYVKJTJZGJS-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H28FN5O2/c1-33-20-3-4-23-22(12-20)21(6-9-27-23)24(32)16-30-10-7-18(8-11-30)28-13-19-15-31-14-17(26)2-5-25(31)29-19/h2-6,9,12,14-15,18,24,28,32H,7-8,10-11,13,16H2,1H3/t24-/m0/s1.
What are the key properties of (1R)-2-[4-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methylamino]piperidin-1-yl]-1-(6-methoxyquinolin-4-yl)ethanol?
(1R)-2-[4-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methylamino]piperidin-1-yl]-1-(6-methoxyquinolin-4-yl)ethanol has a molecular weight of 449.53 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[4-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methylamino]piperidin-1-yl]-1-(6-methoxyquinolin-4-yl)ethanol is sourced from PubChem (CID 44535223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).