3-[1-[4-(chloromethyl)phenyl]-6-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine

C24H17ClFN5 — CID 177316980

IUPAC3-[1-[4-(chloromethyl)phenyl]-6-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
SMILESNc1ncccc1-c1nc2ncc(-c3ccc(F)cc3)cc2n1-c1ccc(CCl)cc1
InChIInChI=1S/C24H17ClFN5/c25-13-15-3-9-19(10-4-15)31-21-12-17(16-5-7-18(26)8-6-16)14-29-23(21)30-24(31)20-2-1-11-28-22(20)27/h1-12,14H,13H2,(H2,27,28)
InChIKeyXNXLRXKTWGIDDC-UHFFFAOYSA-N
MW429.89 g/mol
LogP5.61
Rot. Bonds4

About 3-[1-[4-(chloromethyl)phenyl]-6-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine

3-[1-[4-(chloromethyl)phenyl]-6-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (PubChem CID 177316980) has the molecular formula C24H17ClFN5 and a molecular weight of 429.89 g/mol. Its IUPAC name is 3-[1-[4-(chloromethyl)phenyl]-6-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-[1-[4-(chloromethyl)phenyl]-6-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
PubChem CID177316980
Molecular FormulaC24H17ClFN5
Molecular Weight429.89 g/mol
Exact Mass429.12
IUPAC Name3-[1-[4-(chloromethyl)phenyl]-6-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
SMILESNc1ncccc1-c1nc2ncc(-c3ccc(F)cc3)cc2n1-c1ccc(CCl)cc1
InChIInChI=1S/C24H17ClFN5/c25-13-15-3-9-19(10-4-15)31-21-12-17(16-5-7-18(26)8-6-16)14-29-23(21)30-24(31)20-2-1-11-28-22(20)27/h1-12,14H,13H2,(H2,27,28)
InChIKeyXNXLRXKTWGIDDC-UHFFFAOYSA-N
XLogP5.61
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.89
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-[3-[4-(chloromethyl)phenyl]-5-(4-fluorophenyl)imidazo[4,5-b]pyrazin-2-yl]pyridin-2-amine
CID 177317077
[4-[2-(2-amino-3-pyridinyl)-6-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-1-yl]phenyl]methyl acetate
CID 177316736
3-[3-[4-(chloromethyl)phenyl]imidazo[4,5-b]pyrazin-2-yl]pyridin-2-amine
CID 171493911
3-[1-[4-[(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]phenyl]-6-pyridin-2-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 177316813
3-[9-[4-(chloromethyl)phenyl]purin-8-yl]pyridin-2-amine
CID 171495281
8-(2-amino-3-pyridinyl)-9-[4-(chloromethyl)phenyl]-1H-purin-6-one
CID 171495354
3-[1-chloro-3-[4-(chloromethyl)phenyl]-6-(4-fluorophenyl)indolizin-2-yl]pyridin-2-amine;ethane
CID 177316474
5-[2-(2-amino-3-pyridinyl)-3-[4-(chloromethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2-carbonitrile
CID 171494572
[4-[2-(2-amino-3-pyridinyl)-6-bromoimidazo[4,5-b]pyridin-1-yl]phenyl]methyl acetate
CID 177316668
[4-[2-(2-amino-3-pyridinyl)-6-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methanol
CID 171069078
2-(2-amino-3-pyridinyl)-3-[4-(chloromethyl)phenyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 171495483
3-[3-[4-(chloromethyl)phenyl]-5-pyridin-3-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 171493895

Frequently Asked Questions

What is the IUPAC name of 3-[1-[4-(chloromethyl)phenyl]-6-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
The IUPAC name of 3-[1-[4-(chloromethyl)phenyl]-6-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (CID 177316980) is 3-[1-[4-(chloromethyl)phenyl]-6-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine.
What is the SMILES notation for 3-[1-[4-(chloromethyl)phenyl]-6-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
The canonical SMILES for 3-[1-[4-(chloromethyl)phenyl]-6-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine is Nc1ncccc1-c1nc2ncc(-c3ccc(F)cc3)cc2n1-c1ccc(CCl)cc1.
What is the InChIKey of 3-[1-[4-(chloromethyl)phenyl]-6-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
The InChIKey is XNXLRXKTWGIDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClFN5/c25-13-15-3-9-19(10-4-15)31-21-12-17(16-5-7-18(26)8-6-16)14-29-23(21)30-24(31)20-2-1-11-28-22(20)27/h1-12,14H,13H2,(H2,27,28).
What are the key properties of 3-[1-[4-(chloromethyl)phenyl]-6-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
3-[1-[4-(chloromethyl)phenyl]-6-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine has a molecular weight of 429.89 g/mol, XLogP of 5.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[4-(chloromethyl)phenyl]-6-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine is sourced from PubChem (CID 177316980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).