1-[2-amino-5-[[5-chloro-2-fluoro-6-[2-(1H-imidazol-5-yl)ethylamino]-3-methyl-4-pyridinyl]oxy]phenyl]ethanol

C19H21ClFN5O2 — CID 142829179

IUPAC1-[2-amino-5-[[5-chloro-2-fluoro-6-[2-(1H-imidazol-5-yl)ethylamino]-3-methyl-4-pyridinyl]oxy]phenyl]ethanol
SMILESCc1c(F)nc(NCCc2cnc[nH]2)c(Cl)c1Oc1ccc(N)c(C(C)O)c1
InChIInChI=1S/C19H21ClFN5O2/c1-10-17(28-13-3-4-15(22)14(7-13)11(2)27)16(20)19(26-18(10)21)24-6-5-12-8-23-9-25-12/h3-4,7-9,11,27H,5-6,22H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyICLUGTPYGATSHQ-UHFFFAOYSA-N
MW405.86 g/mol
LogP3.99
Rot. Bonds7

About 1-[2-amino-5-[[5-chloro-2-fluoro-6-[2-(1H-imidazol-5-yl)ethylamino]-3-methyl-4-pyridinyl]oxy]phenyl]ethanol

1-[2-amino-5-[[5-chloro-2-fluoro-6-[2-(1H-imidazol-5-yl)ethylamino]-3-methyl-4-pyridinyl]oxy]phenyl]ethanol (PubChem CID 142829179) has the molecular formula C19H21ClFN5O2 and a molecular weight of 405.86 g/mol. Its IUPAC name is 1-[2-amino-5-[[5-chloro-2-fluoro-6-[2-(1H-imidazol-5-yl)ethylamino]-3-methyl-4-pyridinyl]oxy]phenyl]ethanol.

Molecular Properties

Compound Name1-[2-amino-5-[[5-chloro-2-fluoro-6-[2-(1H-imidazol-5-yl)ethylamino]-3-methyl-4-pyridinyl]oxy]phenyl]ethanol
PubChem CID142829179
Molecular FormulaC19H21ClFN5O2
Molecular Weight405.86 g/mol
Exact Mass405.14
IUPAC Name1-[2-amino-5-[[5-chloro-2-fluoro-6-[2-(1H-imidazol-5-yl)ethylamino]-3-methyl-4-pyridinyl]oxy]phenyl]ethanol
SMILESCc1c(F)nc(NCCc2cnc[nH]2)c(Cl)c1Oc1ccc(N)c(C(C)O)c1
InChIInChI=1S/C19H21ClFN5O2/c1-10-17(28-13-3-4-15(22)14(7-13)11(2)27)16(20)19(26-18(10)21)24-6-5-12-8-23-9-25-12/h3-4,7-9,11,27H,5-6,22H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyICLUGTPYGATSHQ-UHFFFAOYSA-N
XLogP3.99
TPSA109.08 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.86
LogP ≤ 53.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

6-chloro-2-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-2,3-diamine
CID 115474252
3-N-[2-(1H-imidazol-5-yl)ethyl]-5-propan-2-yloxybenzene-1,3-diamine
CID 80734583
4-[[3,5-dichloro-2-[2-(1,3-dioxolan-2-yl)ethylamino]-6-fluoro-4-pyridinyl]oxy]-2-propan-2-ylphenol
CID 20732449
1-N-[2-(1H-imidazol-5-yl)ethyl]-4-methylbenzene-1,2-diamine
CID 65231042
1-(2-chloro-4-fluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine
CID 65232432
6-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-2-methylsulfanylpyrimidin-4-amine
CID 106195075
ethyl (2S)-2-[[[[3,5-dichloro-6-fluoro-4-(4-hydroxy-3-propan-2-ylphenoxy)-2-pyridinyl]amino]methyl-[(1-ethoxy-1-oxopropan-2-yl)amino]phosphoryl]amino]propanoate
CID 143339841
ethyl (2S)-2-[[[[3,5-dichloro-6-fluoro-4-(4-hydroxy-3-propan-2-ylphenoxy)-2-pyridinyl]amino]methyl-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]phosphoryl]amino]propanoate
CID 15940868
2-(3-chlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 10215487
4-[[3,5-dichloro-2-fluoro-6-[[(2R)-1-hydroxypropan-2-yl]amino]-4-pyridinyl]oxy]-2-propan-2-ylphenol;methane
CID 162138539
5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]-3-methylpyridin-2-amine
CID 79718614
3-amino-4-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]-2,6-dimethylbenzenesulfonamide
CID 107325891

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-5-[[5-chloro-2-fluoro-6-[2-(1H-imidazol-5-yl)ethylamino]-3-methyl-4-pyridinyl]oxy]phenyl]ethanol?
The IUPAC name of 1-[2-amino-5-[[5-chloro-2-fluoro-6-[2-(1H-imidazol-5-yl)ethylamino]-3-methyl-4-pyridinyl]oxy]phenyl]ethanol (CID 142829179) is 1-[2-amino-5-[[5-chloro-2-fluoro-6-[2-(1H-imidazol-5-yl)ethylamino]-3-methyl-4-pyridinyl]oxy]phenyl]ethanol.
What is the SMILES notation for 1-[2-amino-5-[[5-chloro-2-fluoro-6-[2-(1H-imidazol-5-yl)ethylamino]-3-methyl-4-pyridinyl]oxy]phenyl]ethanol?
The canonical SMILES for 1-[2-amino-5-[[5-chloro-2-fluoro-6-[2-(1H-imidazol-5-yl)ethylamino]-3-methyl-4-pyridinyl]oxy]phenyl]ethanol is Cc1c(F)nc(NCCc2cnc[nH]2)c(Cl)c1Oc1ccc(N)c(C(C)O)c1.
What is the InChIKey of 1-[2-amino-5-[[5-chloro-2-fluoro-6-[2-(1H-imidazol-5-yl)ethylamino]-3-methyl-4-pyridinyl]oxy]phenyl]ethanol?
The InChIKey is ICLUGTPYGATSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFN5O2/c1-10-17(28-13-3-4-15(22)14(7-13)11(2)27)16(20)19(26-18(10)21)24-6-5-12-8-23-9-25-12/h3-4,7-9,11,27H,5-6,22H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 1-[2-amino-5-[[5-chloro-2-fluoro-6-[2-(1H-imidazol-5-yl)ethylamino]-3-methyl-4-pyridinyl]oxy]phenyl]ethanol?
1-[2-amino-5-[[5-chloro-2-fluoro-6-[2-(1H-imidazol-5-yl)ethylamino]-3-methyl-4-pyridinyl]oxy]phenyl]ethanol has a molecular weight of 405.86 g/mol, XLogP of 3.99, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-5-[[5-chloro-2-fluoro-6-[2-(1H-imidazol-5-yl)ethylamino]-3-methyl-4-pyridinyl]oxy]phenyl]ethanol is sourced from PubChem (CID 142829179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).