N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-2-(furan-2-yl)-1H-imidazo[4,5-b]pyridin-7-amine

C23H16ClFN4O2 — CID 155514744

IUPACN-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-2-(furan-2-yl)-1H-imidazo[4,5-b]pyridin-7-amine
SMILESFc1cccc(COc2ccc(Nc3ccnc4nc(-c5ccco5)[nH]c34)cc2Cl)c1
InChIInChI=1S/C23H16ClFN4O2/c24-17-12-16(6-7-19(17)31-13-14-3-1-4-15(25)11-14)27-18-8-9-26-23-21(18)28-22(29-23)20-5-2-10-30-20/h1-12H,13H2,(H2,26,27,28,29)
InChIKeyDVQHCBKOLNYTLH-UHFFFAOYSA-N
MW434.86 g/mol
LogP6.33
Rot. Bonds6

About N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-2-(furan-2-yl)-1H-imidazo[4,5-b]pyridin-7-amine

N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-2-(furan-2-yl)-1H-imidazo[4,5-b]pyridin-7-amine (PubChem CID 155514744) has the molecular formula C23H16ClFN4O2 and a molecular weight of 434.86 g/mol. Its IUPAC name is N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-2-(furan-2-yl)-1H-imidazo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound NameN-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-2-(furan-2-yl)-1H-imidazo[4,5-b]pyridin-7-amine
PubChem CID155514744
Molecular FormulaC23H16ClFN4O2
Molecular Weight434.86 g/mol
Exact Mass434.09
IUPAC NameN-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-2-(furan-2-yl)-1H-imidazo[4,5-b]pyridin-7-amine
SMILESFc1cccc(COc2ccc(Nc3ccnc4nc(-c5ccco5)[nH]c34)cc2Cl)c1
InChIInChI=1S/C23H16ClFN4O2/c24-17-12-16(6-7-19(17)31-13-14-3-1-4-15(25)11-14)27-18-8-9-26-23-21(18)28-22(29-23)20-5-2-10-30-20/h1-12H,13H2,(H2,26,27,28,29)
InChIKeyDVQHCBKOLNYTLH-UHFFFAOYSA-N
XLogP6.33
TPSA75.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.86
LogP ≤ 56.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-2-(furan-2-yl)-1H-imidazo[4,5-b]pyridin-7-amine?
The IUPAC name of N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-2-(furan-2-yl)-1H-imidazo[4,5-b]pyridin-7-amine (CID 155514744) is N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-2-(furan-2-yl)-1H-imidazo[4,5-b]pyridin-7-amine.
What is the SMILES notation for N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-2-(furan-2-yl)-1H-imidazo[4,5-b]pyridin-7-amine?
The canonical SMILES for N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-2-(furan-2-yl)-1H-imidazo[4,5-b]pyridin-7-amine is Fc1cccc(COc2ccc(Nc3ccnc4nc(-c5ccco5)[nH]c34)cc2Cl)c1.
What is the InChIKey of N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-2-(furan-2-yl)-1H-imidazo[4,5-b]pyridin-7-amine?
The InChIKey is DVQHCBKOLNYTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClFN4O2/c24-17-12-16(6-7-19(17)31-13-14-3-1-4-15(25)11-14)27-18-8-9-26-23-21(18)28-22(29-23)20-5-2-10-30-20/h1-12H,13H2,(H2,26,27,28,29).
What are the key properties of N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-2-(furan-2-yl)-1H-imidazo[4,5-b]pyridin-7-amine?
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-2-(furan-2-yl)-1H-imidazo[4,5-b]pyridin-7-amine has a molecular weight of 434.86 g/mol, XLogP of 6.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-2-(furan-2-yl)-1H-imidazo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 155514744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).