N-[[3-[(4-amino-6-chloro-2-pyridinyl)oxy]-4-chloro-2-fluorophenyl]methyl]-5-chloro-1H-imidazole-4-carboxamide

C16H11Cl3FN5O2 — CID 89218707

IUPACN-[[3-[(4-amino-6-chloro-2-pyridinyl)oxy]-4-chloro-2-fluorophenyl]methyl]-5-chloro-1H-imidazole-4-carboxamide
SMILESNc1cc(Cl)nc(Oc2c(Cl)ccc(CNC(=O)c3nc[nH]c3Cl)c2F)c1
InChIInChI=1S/C16H11Cl3FN5O2/c17-9-2-1-7(5-22-16(26)13-15(19)24-6-23-13)12(20)14(9)27-11-4-8(21)3-10(18)25-11/h1-4,6H,5H2,(H2,21,25)(H,22,26)(H,23,24)
InChIKeyIKAOAZDLUTXPFE-UHFFFAOYSA-N
MW430.65 g/mol
LogP4.21
Rot. Bonds5

About N-[[3-[(4-amino-6-chloro-2-pyridinyl)oxy]-4-chloro-2-fluorophenyl]methyl]-5-chloro-1H-imidazole-4-carboxamide

N-[[3-[(4-amino-6-chloro-2-pyridinyl)oxy]-4-chloro-2-fluorophenyl]methyl]-5-chloro-1H-imidazole-4-carboxamide (PubChem CID 89218707) has the molecular formula C16H11Cl3FN5O2 and a molecular weight of 430.65 g/mol. Its IUPAC name is N-[[3-[(4-amino-6-chloro-2-pyridinyl)oxy]-4-chloro-2-fluorophenyl]methyl]-5-chloro-1H-imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[[3-[(4-amino-6-chloro-2-pyridinyl)oxy]-4-chloro-2-fluorophenyl]methyl]-5-chloro-1H-imidazole-4-carboxamide
PubChem CID89218707
Molecular FormulaC16H11Cl3FN5O2
Molecular Weight430.65 g/mol
Exact Mass429.00
IUPAC NameN-[[3-[(4-amino-6-chloro-2-pyridinyl)oxy]-4-chloro-2-fluorophenyl]methyl]-5-chloro-1H-imidazole-4-carboxamide
SMILESNc1cc(Cl)nc(Oc2c(Cl)ccc(CNC(=O)c3nc[nH]c3Cl)c2F)c1
InChIInChI=1S/C16H11Cl3FN5O2/c17-9-2-1-7(5-22-16(26)13-15(19)24-6-23-13)12(20)14(9)27-11-4-8(21)3-10(18)25-11/h1-4,6H,5H2,(H2,21,25)(H,22,26)(H,23,24)
InChIKeyIKAOAZDLUTXPFE-UHFFFAOYSA-N
XLogP4.21
TPSA105.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.65
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-(3-amino-5-methoxyphenoxy)-4-chloro-2-fluorophenyl]methyl]-5-chloro-1H-imidazole-4-carboxamide
CID 89218680
N-[[3-(3-amino-5-but-1-ynylphenoxy)-4-chloro-2-fluorophenyl]methyl]-5-chloro-1H-imidazole-4-carboxamide
CID 89218764
5-chloro-N-[[4-chloro-3-[3-cyano-5-[(dimethylamino)methyl]phenoxy]-2-fluorophenyl]methyl]-1H-imidazole-4-carboxamide
CID 25128104
N-[[3-(3-amino-5-chlorophenoxy)-4-chloro-2-fluorophenyl]methyl]-5-bromo-2-(methoxymethyl)-1H-imidazole-4-carboxamide
CID 89218682
N-[[3-(3-amino-5-chlorophenoxy)-4-chloro-2-fluorophenyl]methyl]pyridine-2-carboxamide
CID 89218603
N-[[3-(3-amino-5-chlorophenoxy)-4-chloro-2-fluorophenyl]methyl]-4-chloro-1H-pyrazole-5-carboxamide
CID 89218724
5-chloro-N-[(4-chloro-2-fluoro-3-naphthalen-1-yloxyphenyl)methyl]-2-methyl-1H-imidazole-4-carboxamide
CID 59451373
N-[[3-[3-amino-5-(trifluoromethyl)phenoxy]-4-chloro-2-fluorophenyl]methyl]-3-chloro-1H-pyrrole-2-carboxamide
CID 89218467
N-[[3-(3-amino-5-chlorophenoxy)-4-chloro-2-fluorophenyl]methyl]-4-methylthiadiazole-5-carboxamide
CID 89218499
5-chloro-N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]methyl]-2-ethyl-1H-imidazole-4-carboxamide
CID 59451438
N-[[3-(3-amino-5-chlorophenoxy)-4-chloro-2-fluorophenyl]methyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 89218720
2-acetamido-5-chloro-N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]methyl]-1H-imidazole-4-carboxamide
CID 68721880

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4-amino-6-chloro-2-pyridinyl)oxy]-4-chloro-2-fluorophenyl]methyl]-5-chloro-1H-imidazole-4-carboxamide?
The IUPAC name of N-[[3-[(4-amino-6-chloro-2-pyridinyl)oxy]-4-chloro-2-fluorophenyl]methyl]-5-chloro-1H-imidazole-4-carboxamide (CID 89218707) is N-[[3-[(4-amino-6-chloro-2-pyridinyl)oxy]-4-chloro-2-fluorophenyl]methyl]-5-chloro-1H-imidazole-4-carboxamide.
What is the SMILES notation for N-[[3-[(4-amino-6-chloro-2-pyridinyl)oxy]-4-chloro-2-fluorophenyl]methyl]-5-chloro-1H-imidazole-4-carboxamide?
The canonical SMILES for N-[[3-[(4-amino-6-chloro-2-pyridinyl)oxy]-4-chloro-2-fluorophenyl]methyl]-5-chloro-1H-imidazole-4-carboxamide is Nc1cc(Cl)nc(Oc2c(Cl)ccc(CNC(=O)c3nc[nH]c3Cl)c2F)c1.
What is the InChIKey of N-[[3-[(4-amino-6-chloro-2-pyridinyl)oxy]-4-chloro-2-fluorophenyl]methyl]-5-chloro-1H-imidazole-4-carboxamide?
The InChIKey is IKAOAZDLUTXPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl3FN5O2/c17-9-2-1-7(5-22-16(26)13-15(19)24-6-23-13)12(20)14(9)27-11-4-8(21)3-10(18)25-11/h1-4,6H,5H2,(H2,21,25)(H,22,26)(H,23,24).
What are the key properties of N-[[3-[(4-amino-6-chloro-2-pyridinyl)oxy]-4-chloro-2-fluorophenyl]methyl]-5-chloro-1H-imidazole-4-carboxamide?
N-[[3-[(4-amino-6-chloro-2-pyridinyl)oxy]-4-chloro-2-fluorophenyl]methyl]-5-chloro-1H-imidazole-4-carboxamide has a molecular weight of 430.65 g/mol, XLogP of 4.21, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4-amino-6-chloro-2-pyridinyl)oxy]-4-chloro-2-fluorophenyl]methyl]-5-chloro-1H-imidazole-4-carboxamide is sourced from PubChem (CID 89218707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).