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

C21H15ClFN5O3 — CID 85471924

IUPACN-[4-chloro-3-[6-(cyclopropanecarbonylamino)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-5-fluorofuran-2-carboxamide
SMILESO=C(Nc1ccc(Cl)c(-c2nc3ncc(NC(=O)C4CC4)cc3[nH]2)c1)c1ccc(F)o1
InChIInChI=1S/C21H15ClFN5O3/c22-14-4-3-11(25-21(30)16-5-6-17(23)31-16)7-13(14)18-27-15-8-12(9-24-19(15)28-18)26-20(29)10-1-2-10/h3-10H,1-2H2,(H,25,30)(H,26,29)(H,24,27,28)
InChIKeyQEANJQVUAPEMBJ-UHFFFAOYSA-N
MW439.83 g/mol
LogP4.61
Rot. Bonds5

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

N-[4-chloro-3-[6-(cyclopropanecarbonylamino)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-5-fluorofuran-2-carboxamide (PubChem CID 85471924) has the molecular formula C21H15ClFN5O3 and a molecular weight of 439.83 g/mol. Its IUPAC name is N-[4-chloro-3-[6-(cyclopropanecarbonylamino)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-5-fluorofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-[6-(cyclopropanecarbonylamino)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-5-fluorofuran-2-carboxamide
PubChem CID85471924
Molecular FormulaC21H15ClFN5O3
Molecular Weight439.83 g/mol
Exact Mass439.08
IUPAC NameN-[4-chloro-3-[6-(cyclopropanecarbonylamino)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-5-fluorofuran-2-carboxamide
SMILESO=C(Nc1ccc(Cl)c(-c2nc3ncc(NC(=O)C4CC4)cc3[nH]2)c1)c1ccc(F)o1
InChIInChI=1S/C21H15ClFN5O3/c22-14-4-3-11(25-21(30)16-5-6-17(23)31-16)7-13(14)18-27-15-8-12(9-24-19(15)28-18)26-20(29)10-1-2-10/h3-10H,1-2H2,(H,25,30)(H,26,29)(H,24,27,28)
InChIKeyQEANJQVUAPEMBJ-UHFFFAOYSA-N
XLogP4.61
TPSA112.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.83
LogP ≤ 54.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-[6-(cyclopropanecarbonylamino)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-5-fluorofuran-2-carboxamide?
The IUPAC name of N-[4-chloro-3-[6-(cyclopropanecarbonylamino)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-5-fluorofuran-2-carboxamide (CID 85471924) is N-[4-chloro-3-[6-(cyclopropanecarbonylamino)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-5-fluorofuran-2-carboxamide.
What is the SMILES notation for N-[4-chloro-3-[6-(cyclopropanecarbonylamino)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-5-fluorofuran-2-carboxamide?
The canonical SMILES for N-[4-chloro-3-[6-(cyclopropanecarbonylamino)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-5-fluorofuran-2-carboxamide is O=C(Nc1ccc(Cl)c(-c2nc3ncc(NC(=O)C4CC4)cc3[nH]2)c1)c1ccc(F)o1.
What is the InChIKey of N-[4-chloro-3-[6-(cyclopropanecarbonylamino)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-5-fluorofuran-2-carboxamide?
The InChIKey is QEANJQVUAPEMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClFN5O3/c22-14-4-3-11(25-21(30)16-5-6-17(23)31-16)7-13(14)18-27-15-8-12(9-24-19(15)28-18)26-20(29)10-1-2-10/h3-10H,1-2H2,(H,25,30)(H,26,29)(H,24,27,28).
What are the key properties of N-[4-chloro-3-[6-(cyclopropanecarbonylamino)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-5-fluorofuran-2-carboxamide?
N-[4-chloro-3-[6-(cyclopropanecarbonylamino)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-5-fluorofuran-2-carboxamide has a molecular weight of 439.83 g/mol, XLogP of 4.61, 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-(cyclopropanecarbonylamino)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-5-fluorofuran-2-carboxamide is sourced from PubChem (CID 85471924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).