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

C24H14ClF3N4O3 — CID 85472494

IUPACN-[4-chloro-3-[6-[4-(trifluoromethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(Cl)c(-c2nc3ncc(-c4ccc(OC(F)(F)F)cc4)cc3[nH]2)c1)c1ccco1
InChIInChI=1S/C24H14ClF3N4O3/c25-18-8-5-15(30-23(33)20-2-1-9-34-20)11-17(18)21-31-19-10-14(12-29-22(19)32-21)13-3-6-16(7-4-13)35-24(26,27)28/h1-12H,(H,30,33)(H,29,31,32)
InChIKeyYZZWHGMECOHLBU-UHFFFAOYSA-N
MW498.85 g/mol
LogP6.69
Rot. Bonds5

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

N-[4-chloro-3-[6-[4-(trifluoromethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide (PubChem CID 85472494) has the molecular formula C24H14ClF3N4O3 and a molecular weight of 498.85 g/mol. Its IUPAC name is N-[4-chloro-3-[6-[4-(trifluoromethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-[6-[4-(trifluoromethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide
PubChem CID85472494
Molecular FormulaC24H14ClF3N4O3
Molecular Weight498.85 g/mol
Exact Mass498.07
IUPAC NameN-[4-chloro-3-[6-[4-(trifluoromethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(Cl)c(-c2nc3ncc(-c4ccc(OC(F)(F)F)cc4)cc3[nH]2)c1)c1ccco1
InChIInChI=1S/C24H14ClF3N4O3/c25-18-8-5-15(30-23(33)20-2-1-9-34-20)11-17(18)21-31-19-10-14(12-29-22(19)32-21)13-3-6-16(7-4-13)35-24(26,27)28/h1-12H,(H,30,33)(H,29,31,32)
InChIKeyYZZWHGMECOHLBU-UHFFFAOYSA-N
XLogP6.69
TPSA93.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.85
LogP ≤ 56.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-[6-[4-(trifluoromethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-chloro-3-[6-[4-(trifluoromethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide (CID 85472494) is N-[4-chloro-3-[6-[4-(trifluoromethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-chloro-3-[6-[4-(trifluoromethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-chloro-3-[6-[4-(trifluoromethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide is O=C(Nc1ccc(Cl)c(-c2nc3ncc(-c4ccc(OC(F)(F)F)cc4)cc3[nH]2)c1)c1ccco1.
What is the InChIKey of N-[4-chloro-3-[6-[4-(trifluoromethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide?
The InChIKey is YZZWHGMECOHLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14ClF3N4O3/c25-18-8-5-15(30-23(33)20-2-1-9-34-20)11-17(18)21-31-19-10-14(12-29-22(19)32-21)13-3-6-16(7-4-13)35-24(26,27)28/h1-12H,(H,30,33)(H,29,31,32).
What are the key properties of N-[4-chloro-3-[6-[4-(trifluoromethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide?
N-[4-chloro-3-[6-[4-(trifluoromethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide has a molecular weight of 498.85 g/mol, XLogP of 6.69, 5 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-[4-(trifluoromethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 85472494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).