3-[3-[4-(chloromethyl)phenyl]-5-(4-methoxy-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine

C24H19ClN6O — CID 171494268

IUPAC3-[3-[4-(chloromethyl)phenyl]-5-(4-methoxy-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
SMILESCOc1ccnc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(CCl)cc4)c3n2)c1
InChIInChI=1S/C24H19ClN6O/c1-32-17-10-12-27-21(13-17)19-8-9-20-24(29-19)31(16-6-4-15(14-25)5-7-16)23(30-20)18-3-2-11-28-22(18)26/h2-13H,14H2,1H3,(H2,26,28)
InChIKeyKDTDLHDVPFYDBH-UHFFFAOYSA-N
MW442.91 g/mol
LogP4.87
Rot. Bonds5

About 3-[3-[4-(chloromethyl)phenyl]-5-(4-methoxy-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine

3-[3-[4-(chloromethyl)phenyl]-5-(4-methoxy-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (PubChem CID 171494268) has the molecular formula C24H19ClN6O and a molecular weight of 442.91 g/mol. Its IUPAC name is 3-[3-[4-(chloromethyl)phenyl]-5-(4-methoxy-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-[3-[4-(chloromethyl)phenyl]-5-(4-methoxy-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
PubChem CID171494268
Molecular FormulaC24H19ClN6O
Molecular Weight442.91 g/mol
Exact Mass442.13
IUPAC Name3-[3-[4-(chloromethyl)phenyl]-5-(4-methoxy-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
SMILESCOc1ccnc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(CCl)cc4)c3n2)c1
InChIInChI=1S/C24H19ClN6O/c1-32-17-10-12-27-21(13-17)19-8-9-20-24(29-19)31(16-6-4-15(14-25)5-7-16)23(30-20)18-3-2-11-28-22(18)26/h2-13H,14H2,1H3,(H2,26,28)
InChIKeyKDTDLHDVPFYDBH-UHFFFAOYSA-N
XLogP4.87
TPSA91.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.91
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-[3-[4-(chloromethyl)phenyl]-5-(5-propan-2-yl-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 177317072
3-[3-[4-(chloromethyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethene
CID 171103414
6-[2-(2-amino-3-pyridinyl)-3-[4-(chloromethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2-carbonitrile;ethane
CID 171495399
3-[3-[4-(chloromethyl)phenyl]-5-pyridin-3-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 171493895
3-[3-[4-(chloromethyl)phenyl]-5-(4-methyl-1,2,4-triazol-3-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 171496157
3-[3-[4-(chloromethyl)phenyl]-5-[5-(difluoromethoxy)pyrazin-2-yl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 177316904
2-(2-amino-3-pyridinyl)-3-[4-(chloromethyl)phenyl]-N-(trideuteriomethyl)imidazo[4,5-b]pyridin-5-amine
CID 171599395
3-[3-[4-(chloromethyl)phenyl]-5-(3-isocyanophenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 171599525
3-[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 58345186
5-[2-(2-amino-3-pyridinyl)-3-[4-(chloromethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2-carbonitrile
CID 171494572
1-[3-[2-(2-amino-3-pyridinyl)-3-[4-(chloromethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]phenyl]pyrrolidin-2-one
CID 171599241
ethane;3-[3-(4-ethylphenyl)-5-[5-(fluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 171495372

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(chloromethyl)phenyl]-5-(4-methoxy-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
The IUPAC name of 3-[3-[4-(chloromethyl)phenyl]-5-(4-methoxy-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (CID 171494268) is 3-[3-[4-(chloromethyl)phenyl]-5-(4-methoxy-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine.
What is the SMILES notation for 3-[3-[4-(chloromethyl)phenyl]-5-(4-methoxy-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
The canonical SMILES for 3-[3-[4-(chloromethyl)phenyl]-5-(4-methoxy-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine is COc1ccnc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(CCl)cc4)c3n2)c1.
What is the InChIKey of 3-[3-[4-(chloromethyl)phenyl]-5-(4-methoxy-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
The InChIKey is KDTDLHDVPFYDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN6O/c1-32-17-10-12-27-21(13-17)19-8-9-20-24(29-19)31(16-6-4-15(14-25)5-7-16)23(30-20)18-3-2-11-28-22(18)26/h2-13H,14H2,1H3,(H2,26,28).
What are the key properties of 3-[3-[4-(chloromethyl)phenyl]-5-(4-methoxy-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
3-[3-[4-(chloromethyl)phenyl]-5-(4-methoxy-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine has a molecular weight of 442.91 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(chloromethyl)phenyl]-5-(4-methoxy-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine is sourced from PubChem (CID 171494268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).