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

C23H17ClN6 — CID 171493895

IUPAC3-[3-[4-(chloromethyl)phenyl]-5-pyridin-3-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
SMILESNc1ncccc1-c1nc2ccc(-c3cccnc3)nc2n1-c1ccc(CCl)cc1
InChIInChI=1S/C23H17ClN6/c24-13-15-5-7-17(8-6-15)30-22(18-4-2-12-27-21(18)25)29-20-10-9-19(28-23(20)30)16-3-1-11-26-14-16/h1-12,14H,13H2,(H2,25,27)
InChIKeyHULHUQBYDKTPTC-UHFFFAOYSA-N
MW412.88 g/mol
LogP4.87
Rot. Bonds4

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

3-[3-[4-(chloromethyl)phenyl]-5-pyridin-3-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (PubChem CID 171493895) has the molecular formula C23H17ClN6 and a molecular weight of 412.88 g/mol. Its IUPAC name is 3-[3-[4-(chloromethyl)phenyl]-5-pyridin-3-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-[3-[4-(chloromethyl)phenyl]-5-pyridin-3-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
PubChem CID171493895
Molecular FormulaC23H17ClN6
Molecular Weight412.88 g/mol
Exact Mass412.12
IUPAC Name3-[3-[4-(chloromethyl)phenyl]-5-pyridin-3-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
SMILESNc1ncccc1-c1nc2ccc(-c3cccnc3)nc2n1-c1ccc(CCl)cc1
InChIInChI=1S/C23H17ClN6/c24-13-15-5-7-17(8-6-15)30-22(18-4-2-12-27-21(18)25)29-20-10-9-19(28-23(20)30)16-3-1-11-26-14-16/h1-12,14H,13H2,(H2,25,27)
InChIKeyHULHUQBYDKTPTC-UHFFFAOYSA-N
XLogP4.87
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.88
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[4-[2-(2-amino-3-pyridinyl)-5-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methanol
CID 171493964
3-[3-[4-(chloromethyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethene
CID 171103414
5-[2-(2-amino-3-pyridinyl)-3-[4-(chloromethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2-carbonitrile
CID 171494572
3-[3-[4-(chloromethyl)phenyl]-5-(3-isocyanophenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 171599525
2-[4-[2-(2-amino-3-pyridinyl)-5-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl]phenyl]-N-phenylacetamide
CID 58344924
3-[3-[4-(chloromethyl)phenyl]-5-(5-propan-2-yl-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 177317072
[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methanol
CID 169175454
1-[3-[2-(2-amino-3-pyridinyl)-3-[4-(chloromethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]phenyl]pyrrolidin-2-one
CID 171599241
3-[9-[4-(chloromethyl)phenyl]purin-8-yl]pyridin-2-amine
CID 171495281
ethane;3-[3-(4-ethylphenyl)-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 171102945
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-(4-methoxy-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 171494268

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(chloromethyl)phenyl]-5-pyridin-3-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
The IUPAC name of 3-[3-[4-(chloromethyl)phenyl]-5-pyridin-3-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (CID 171493895) is 3-[3-[4-(chloromethyl)phenyl]-5-pyridin-3-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine.
What is the SMILES notation for 3-[3-[4-(chloromethyl)phenyl]-5-pyridin-3-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
The canonical SMILES for 3-[3-[4-(chloromethyl)phenyl]-5-pyridin-3-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine is Nc1ncccc1-c1nc2ccc(-c3cccnc3)nc2n1-c1ccc(CCl)cc1.
What is the InChIKey of 3-[3-[4-(chloromethyl)phenyl]-5-pyridin-3-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
The InChIKey is HULHUQBYDKTPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN6/c24-13-15-5-7-17(8-6-15)30-22(18-4-2-12-27-21(18)25)29-20-10-9-19(28-23(20)30)16-3-1-11-26-14-16/h1-12,14H,13H2,(H2,25,27).
What are the key properties of 3-[3-[4-(chloromethyl)phenyl]-5-pyridin-3-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
3-[3-[4-(chloromethyl)phenyl]-5-pyridin-3-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine has a molecular weight of 412.88 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(chloromethyl)phenyl]-5-pyridin-3-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine is sourced from PubChem (CID 171493895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).