2-fluoroethyl N-[2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]carbamate

C20H15ClFN5O4 — CID 85471664

IUPAC2-fluoroethyl N-[2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]carbamate
SMILESO=C(Nc1cnc2nc(-c3cc(NC(=O)c4ccco4)ccc3Cl)[nH]c2c1)OCCF
InChIInChI=1S/C20H15ClFN5O4/c21-14-4-3-11(24-19(28)16-2-1-6-30-16)8-13(14)17-26-15-9-12(10-23-18(15)27-17)25-20(29)31-7-5-22/h1-4,6,8-10H,5,7H2,(H,24,28)(H,25,29)(H,23,26,27)
InChIKeyOIWXNNYCDVRFGD-UHFFFAOYSA-N
MW443.82 g/mol
LogP4.64
Rot. Bonds6

About 2-fluoroethyl N-[2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]carbamate

2-fluoroethyl N-[2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]carbamate (PubChem CID 85471664) has the molecular formula C20H15ClFN5O4 and a molecular weight of 443.82 g/mol. Its IUPAC name is 2-fluoroethyl N-[2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]carbamate.

Molecular Properties

Compound Name2-fluoroethyl N-[2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]carbamate
PubChem CID85471664
Molecular FormulaC20H15ClFN5O4
Molecular Weight443.82 g/mol
Exact Mass443.08
IUPAC Name2-fluoroethyl N-[2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]carbamate
SMILESO=C(Nc1cnc2nc(-c3cc(NC(=O)c4ccco4)ccc3Cl)[nH]c2c1)OCCF
InChIInChI=1S/C20H15ClFN5O4/c21-14-4-3-11(24-19(28)16-2-1-6-30-16)8-13(14)17-26-15-9-12(10-23-18(15)27-17)25-20(29)31-7-5-22/h1-4,6,8-10H,5,7H2,(H,24,28)(H,25,29)(H,23,26,27)
InChIKeyOIWXNNYCDVRFGD-UHFFFAOYSA-N
XLogP4.64
TPSA122.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.82
LogP ≤ 54.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-fluoroethyl N-[2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
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
N-(3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl)furan-2-carboxamide
CID 7080334
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
N-[3-(7-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-4-fluorophenyl]furan-2-carboxamide
CID 76317860
N-[4-fluoro-3-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]furan-2-carboxamide
CID 76325176
N-(3-chloro-4-((3-fluorobenzyl)oxy)phenyl)-2-(furan-2-yl)-3h-imidazo[4,5-b]pyridin-7-amine
CID 155514744

Frequently Asked Questions

What is the IUPAC name of 2-fluoroethyl N-[2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]carbamate?
The IUPAC name of 2-fluoroethyl N-[2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]carbamate (CID 85471664) is 2-fluoroethyl N-[2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]carbamate.
What is the SMILES notation for 2-fluoroethyl N-[2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]carbamate?
The canonical SMILES for 2-fluoroethyl N-[2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]carbamate is O=C(Nc1cnc2nc(-c3cc(NC(=O)c4ccco4)ccc3Cl)[nH]c2c1)OCCF.
What is the InChIKey of 2-fluoroethyl N-[2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]carbamate?
The InChIKey is OIWXNNYCDVRFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFN5O4/c21-14-4-3-11(24-19(28)16-2-1-6-30-16)8-13(14)17-26-15-9-12(10-23-18(15)27-17)25-20(29)31-7-5-22/h1-4,6,8-10H,5,7H2,(H,24,28)(H,25,29)(H,23,26,27).
What are the key properties of 2-fluoroethyl N-[2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]carbamate?
2-fluoroethyl N-[2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]carbamate has a molecular weight of 443.82 g/mol, XLogP of 4.64, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethyl N-[2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]carbamate is sourced from PubChem (CID 85471664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).