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

C22H17ClFN5O3 — CID 85470968

IUPACN-[4-chloro-3-[6-[(3-fluorocyclobutanecarbonyl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(Cl)c(-c2nc3ncc(NC(=O)C4CC(F)C4)cc3[nH]2)c1)c1ccco1
InChIInChI=1S/C22H17ClFN5O3/c23-16-4-3-13(26-22(31)18-2-1-5-32-18)8-15(16)19-28-17-9-14(10-25-20(17)29-19)27-21(30)11-6-12(24)7-11/h1-5,8-12H,6-7H2,(H,26,31)(H,27,30)(H,25,28,29)
InChIKeyHUAHBWBLVACVHS-UHFFFAOYSA-N
MW453.86 g/mol
LogP4.81
Rot. Bonds5

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

N-[4-chloro-3-[6-[(3-fluorocyclobutanecarbonyl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide (PubChem CID 85470968) has the molecular formula C22H17ClFN5O3 and a molecular weight of 453.86 g/mol. Its IUPAC name is N-[4-chloro-3-[6-[(3-fluorocyclobutanecarbonyl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-[6-[(3-fluorocyclobutanecarbonyl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide
PubChem CID85470968
Molecular FormulaC22H17ClFN5O3
Molecular Weight453.86 g/mol
Exact Mass453.10
IUPAC NameN-[4-chloro-3-[6-[(3-fluorocyclobutanecarbonyl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(Cl)c(-c2nc3ncc(NC(=O)C4CC(F)C4)cc3[nH]2)c1)c1ccco1
InChIInChI=1S/C22H17ClFN5O3/c23-16-4-3-13(26-22(31)18-2-1-5-32-18)8-15(16)19-28-17-9-14(10-25-20(17)29-19)27-21(30)11-6-12(24)7-11/h1-5,8-12H,6-7H2,(H,26,31)(H,27,30)(H,25,28,29)
InChIKeyHUAHBWBLVACVHS-UHFFFAOYSA-N
XLogP4.81
TPSA112.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.86
LogP ≤ 54.81
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-[(3-fluorocyclobutanecarbonyl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-chloro-3-[6-[(3-fluorocyclobutanecarbonyl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide (CID 85470968) is N-[4-chloro-3-[6-[(3-fluorocyclobutanecarbonyl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-chloro-3-[6-[(3-fluorocyclobutanecarbonyl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-chloro-3-[6-[(3-fluorocyclobutanecarbonyl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide is O=C(Nc1ccc(Cl)c(-c2nc3ncc(NC(=O)C4CC(F)C4)cc3[nH]2)c1)c1ccco1.
What is the InChIKey of N-[4-chloro-3-[6-[(3-fluorocyclobutanecarbonyl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide?
The InChIKey is HUAHBWBLVACVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClFN5O3/c23-16-4-3-13(26-22(31)18-2-1-5-32-18)8-15(16)19-28-17-9-14(10-25-20(17)29-19)27-21(30)11-6-12(24)7-11/h1-5,8-12H,6-7H2,(H,26,31)(H,27,30)(H,25,28,29).
What are the key properties of N-[4-chloro-3-[6-[(3-fluorocyclobutanecarbonyl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide?
N-[4-chloro-3-[6-[(3-fluorocyclobutanecarbonyl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide has a molecular weight of 453.86 g/mol, XLogP of 4.81, 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-[(3-fluorocyclobutanecarbonyl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 85470968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).