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

C18H11ClFN5O3 — CID 85472459

IUPACN-[4-chloro-3-(6-formamido-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-5-fluorofuran-2-carboxamide
SMILESO=CNc1cnc2nc(-c3cc(NC(=O)c4ccc(F)o4)ccc3Cl)[nH]c2c1
InChIInChI=1S/C18H11ClFN5O3/c19-12-2-1-9(23-18(27)14-3-4-15(20)28-14)5-11(12)16-24-13-6-10(22-8-26)7-21-17(13)25-16/h1-8H,(H,22,26)(H,23,27)(H,21,24,25)
InChIKeyZINXHPSHAUOKCM-UHFFFAOYSA-N
MW399.77 g/mol
LogP3.83
Rot. Bonds5

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

N-[4-chloro-3-(6-formamido-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-5-fluorofuran-2-carboxamide (PubChem CID 85472459) has the molecular formula C18H11ClFN5O3 and a molecular weight of 399.77 g/mol. Its IUPAC name is N-[4-chloro-3-(6-formamido-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-5-fluorofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(6-formamido-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-5-fluorofuran-2-carboxamide
PubChem CID85472459
Molecular FormulaC18H11ClFN5O3
Molecular Weight399.77 g/mol
Exact Mass399.05
IUPAC NameN-[4-chloro-3-(6-formamido-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-5-fluorofuran-2-carboxamide
SMILESO=CNc1cnc2nc(-c3cc(NC(=O)c4ccc(F)o4)ccc3Cl)[nH]c2c1
InChIInChI=1S/C18H11ClFN5O3/c19-12-2-1-9(23-18(27)14-3-4-15(20)28-14)5-11(12)16-24-13-6-10(22-8-26)7-21-17(13)25-16/h1-8H,(H,22,26)(H,23,27)(H,21,24,25)
InChIKeyZINXHPSHAUOKCM-UHFFFAOYSA-N
XLogP3.83
TPSA112.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.77
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(6-formamido-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-5-fluorofuran-2-carboxamide?
The IUPAC name of N-[4-chloro-3-(6-formamido-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-5-fluorofuran-2-carboxamide (CID 85472459) is N-[4-chloro-3-(6-formamido-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-5-fluorofuran-2-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(6-formamido-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-5-fluorofuran-2-carboxamide?
The canonical SMILES for N-[4-chloro-3-(6-formamido-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-5-fluorofuran-2-carboxamide is O=CNc1cnc2nc(-c3cc(NC(=O)c4ccc(F)o4)ccc3Cl)[nH]c2c1.
What is the InChIKey of N-[4-chloro-3-(6-formamido-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-5-fluorofuran-2-carboxamide?
The InChIKey is ZINXHPSHAUOKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClFN5O3/c19-12-2-1-9(23-18(27)14-3-4-15(20)28-14)5-11(12)16-24-13-6-10(22-8-26)7-21-17(13)25-16/h1-8H,(H,22,26)(H,23,27)(H,21,24,25).
What are the key properties of N-[4-chloro-3-(6-formamido-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-5-fluorofuran-2-carboxamide?
N-[4-chloro-3-(6-formamido-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-5-fluorofuran-2-carboxamide has a molecular weight of 399.77 g/mol, XLogP of 3.83, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(6-formamido-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-5-fluorofuran-2-carboxamide is sourced from PubChem (CID 85472459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).