N-[[4-(3-fluoro-4-pyridinyl)phenyl]methyl]-2-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridin-7-amine

C24H20FN5O — CID 177305456

IUPACN-[[4-(3-fluoro-4-pyridinyl)phenyl]methyl]-2-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridin-7-amine
SMILESFc1cnccc1-c1ccc(CNc2ccnc3nc(CCc4ccco4)[nH]c23)cc1
InChIInChI=1S/C24H20FN5O/c25-20-15-26-11-9-19(20)17-5-3-16(4-6-17)14-28-21-10-12-27-24-23(21)29-22(30-24)8-7-18-2-1-13-31-18/h1-6,9-13,15H,7-8,14H2,(H2,27,28,29,30)
InChIKeyKCJDXPHLVPWQKI-UHFFFAOYSA-N
MW413.46 g/mol
LogP5.15
Rot. Bonds7

About N-[[4-(3-fluoro-4-pyridinyl)phenyl]methyl]-2-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridin-7-amine

N-[[4-(3-fluoro-4-pyridinyl)phenyl]methyl]-2-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridin-7-amine (PubChem CID 177305456) has the molecular formula C24H20FN5O and a molecular weight of 413.46 g/mol. Its IUPAC name is N-[[4-(3-fluoro-4-pyridinyl)phenyl]methyl]-2-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound NameN-[[4-(3-fluoro-4-pyridinyl)phenyl]methyl]-2-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridin-7-amine
PubChem CID177305456
Molecular FormulaC24H20FN5O
Molecular Weight413.46 g/mol
Exact Mass413.17
IUPAC NameN-[[4-(3-fluoro-4-pyridinyl)phenyl]methyl]-2-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridin-7-amine
SMILESFc1cnccc1-c1ccc(CNc2ccnc3nc(CCc4ccco4)[nH]c23)cc1
InChIInChI=1S/C24H20FN5O/c25-20-15-26-11-9-19(20)17-5-3-16(4-6-17)14-28-21-10-12-27-24-23(21)29-22(30-24)8-7-18-2-1-13-31-18/h1-6,9-13,15H,7-8,14H2,(H2,27,28,29,30)
InChIKeyKCJDXPHLVPWQKI-UHFFFAOYSA-N
XLogP5.15
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.46
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-fluoro-4-pyridinyl)phenyl]methyl]-2-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridin-7-amine?
The IUPAC name of N-[[4-(3-fluoro-4-pyridinyl)phenyl]methyl]-2-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridin-7-amine (CID 177305456) is N-[[4-(3-fluoro-4-pyridinyl)phenyl]methyl]-2-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridin-7-amine.
What is the SMILES notation for N-[[4-(3-fluoro-4-pyridinyl)phenyl]methyl]-2-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridin-7-amine?
The canonical SMILES for N-[[4-(3-fluoro-4-pyridinyl)phenyl]methyl]-2-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridin-7-amine is Fc1cnccc1-c1ccc(CNc2ccnc3nc(CCc4ccco4)[nH]c23)cc1.
What is the InChIKey of N-[[4-(3-fluoro-4-pyridinyl)phenyl]methyl]-2-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridin-7-amine?
The InChIKey is KCJDXPHLVPWQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN5O/c25-20-15-26-11-9-19(20)17-5-3-16(4-6-17)14-28-21-10-12-27-24-23(21)29-22(30-24)8-7-18-2-1-13-31-18/h1-6,9-13,15H,7-8,14H2,(H2,27,28,29,30).
What are the key properties of N-[[4-(3-fluoro-4-pyridinyl)phenyl]methyl]-2-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridin-7-amine?
N-[[4-(3-fluoro-4-pyridinyl)phenyl]methyl]-2-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridin-7-amine has a molecular weight of 413.46 g/mol, XLogP of 5.15, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-fluoro-4-pyridinyl)phenyl]methyl]-2-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 177305456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).