N-[4-chloro-3-[6-(2-fluoro-4-pyridinyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide

C22H13ClFN5O2 — CID 85472996

IUPACN-[4-chloro-3-[6-(2-fluoro-4-pyridinyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(Cl)c(-c2nc3ncc(-c4ccnc(F)c4)cc3[nH]2)c1)c1ccco1
InChIInChI=1S/C22H13ClFN5O2/c23-16-4-3-14(27-22(30)18-2-1-7-31-18)10-15(16)20-28-17-8-13(11-26-21(17)29-20)12-5-6-25-19(24)9-12/h1-11H,(H,27,30)(H,26,28,29)
InChIKeyXKTJTRBHYCAJMJ-UHFFFAOYSA-N
MW433.83 g/mol
LogP5.32
Rot. Bonds4

About N-[4-chloro-3-[6-(2-fluoro-4-pyridinyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide

N-[4-chloro-3-[6-(2-fluoro-4-pyridinyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide (PubChem CID 85472996) has the molecular formula C22H13ClFN5O2 and a molecular weight of 433.83 g/mol. Its IUPAC name is N-[4-chloro-3-[6-(2-fluoro-4-pyridinyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-[6-(2-fluoro-4-pyridinyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide
PubChem CID85472996
Molecular FormulaC22H13ClFN5O2
Molecular Weight433.83 g/mol
Exact Mass433.07
IUPAC NameN-[4-chloro-3-[6-(2-fluoro-4-pyridinyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(Cl)c(-c2nc3ncc(-c4ccnc(F)c4)cc3[nH]2)c1)c1ccco1
InChIInChI=1S/C22H13ClFN5O2/c23-16-4-3-14(27-22(30)18-2-1-7-31-18)10-15(16)20-28-17-8-13(11-26-21(17)29-20)12-5-6-25-19(24)9-12/h1-11H,(H,27,30)(H,26,28,29)
InChIKeyXKTJTRBHYCAJMJ-UHFFFAOYSA-N
XLogP5.32
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.83
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]furan-2-carboxamide
CID 5337118
N-(3-(imidazo[1,2-a]pyrimidin-2-yl)phenyl)furan-2-carboxamide
CID 3242306
5-(N-[2-furoyl]amino)-3-(1-methylpiperidin-4-yl)pyrrolo[3,2-b]pyridine
CID 10925382
N-[3-[6-(3-chlorophenyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]-4-fluorophenyl]furan-2-carboxamide
CID 76321596
N-[3-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-4-fluorophenyl]furan-2-carboxamide
CID 76332421
N-[4-fluoro-3-(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]furan-2-carboxamide
CID 76332422
N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-2-furamide
CID 852162
N-[2-(3-pyridinyl)-3H-benzimidazol-5-yl]-2-furancarboxamide
CID 1084671
furan-2-yl-[4-(9-methyl-5H-pyrimido[5,4-b]indol-4-yl)piperazin-1-yl]methanone
CID 1979644
N-[1-(1H-benzimidazol-2-yl)-2-(4-chlorophenyl)vinyl]-2-furamide
CID 5341932
N-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3-methylfuran-2-carboxamide
CID 72204508
N-[3-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]furan-2-carboxamide
CID 72205268

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-[6-(2-fluoro-4-pyridinyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-chloro-3-[6-(2-fluoro-4-pyridinyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide (CID 85472996) is N-[4-chloro-3-[6-(2-fluoro-4-pyridinyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-chloro-3-[6-(2-fluoro-4-pyridinyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-chloro-3-[6-(2-fluoro-4-pyridinyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide is O=C(Nc1ccc(Cl)c(-c2nc3ncc(-c4ccnc(F)c4)cc3[nH]2)c1)c1ccco1.
What is the InChIKey of N-[4-chloro-3-[6-(2-fluoro-4-pyridinyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide?
The InChIKey is XKTJTRBHYCAJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13ClFN5O2/c23-16-4-3-14(27-22(30)18-2-1-7-31-18)10-15(16)20-28-17-8-13(11-26-21(17)29-20)12-5-6-25-19(24)9-12/h1-11H,(H,27,30)(H,26,28,29).
What are the key properties of N-[4-chloro-3-[6-(2-fluoro-4-pyridinyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide?
N-[4-chloro-3-[6-(2-fluoro-4-pyridinyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide has a molecular weight of 433.83 g/mol, XLogP of 5.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-[6-(2-fluoro-4-pyridinyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 85472996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).