3-[3-[4-[chloro(dideuterio)methyl]phenyl]-5,6-dimethylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine

C20H18ClN5 — CID 171496465

IUPAC3-[3-[4-[chloro(dideuterio)methyl]phenyl]-5,6-dimethylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
SMILES[2H]C([2H])(Cl)c1ccc(-n2c(-c3cccnc3N)nc3cc(C)c(C)nc32)cc1
InChIInChI=1S/C20H18ClN5/c1-12-10-17-20(24-13(12)2)26(15-7-5-14(11-21)6-8-15)19(25-17)16-4-3-9-23-18(16)22/h3-10H,11H2,1-2H3,(H2,22,23)/i11D2
InChIKeyTVTKAQBUHQDSPB-ZWGOZCLVSA-N
MW365.86 g/mol
LogP4.42
Rot. Bonds3

About 3-[3-[4-[chloro(dideuterio)methyl]phenyl]-5,6-dimethylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine

3-[3-[4-[chloro(dideuterio)methyl]phenyl]-5,6-dimethylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (PubChem CID 171496465) has the molecular formula C20H18ClN5 and a molecular weight of 365.86 g/mol. Its IUPAC name is 3-[3-[4-[chloro(dideuterio)methyl]phenyl]-5,6-dimethylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-[3-[4-[chloro(dideuterio)methyl]phenyl]-5,6-dimethylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
PubChem CID171496465
Molecular FormulaC20H18ClN5
Molecular Weight365.86 g/mol
Exact Mass365.14
IUPAC Name3-[3-[4-[chloro(dideuterio)methyl]phenyl]-5,6-dimethylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
SMILES[2H]C([2H])(Cl)c1ccc(-n2c(-c3cccnc3N)nc3cc(C)c(C)nc32)cc1
InChIInChI=1S/C20H18ClN5/c1-12-10-17-20(24-13(12)2)26(15-7-5-14(11-21)6-8-15)19(25-17)16-4-3-9-23-18(16)22/h3-10H,11H2,1-2H3,(H2,22,23)/i11D2
InChIKeyTVTKAQBUHQDSPB-ZWGOZCLVSA-N
XLogP4.42
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-[chloro(dideuterio)methyl]phenyl]-5,6-dimethylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
The IUPAC name of 3-[3-[4-[chloro(dideuterio)methyl]phenyl]-5,6-dimethylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (CID 171496465) is 3-[3-[4-[chloro(dideuterio)methyl]phenyl]-5,6-dimethylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine.
What is the SMILES notation for 3-[3-[4-[chloro(dideuterio)methyl]phenyl]-5,6-dimethylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
The canonical SMILES for 3-[3-[4-[chloro(dideuterio)methyl]phenyl]-5,6-dimethylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine is [2H]C([2H])(Cl)c1ccc(-n2c(-c3cccnc3N)nc3cc(C)c(C)nc32)cc1.
What is the InChIKey of 3-[3-[4-[chloro(dideuterio)methyl]phenyl]-5,6-dimethylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
The InChIKey is TVTKAQBUHQDSPB-ZWGOZCLVSA-N. The full InChI is InChI=1S/C20H18ClN5/c1-12-10-17-20(24-13(12)2)26(15-7-5-14(11-21)6-8-15)19(25-17)16-4-3-9-23-18(16)22/h3-10H,11H2,1-2H3,(H2,22,23)/i11D2.
What are the key properties of 3-[3-[4-[chloro(dideuterio)methyl]phenyl]-5,6-dimethylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
3-[3-[4-[chloro(dideuterio)methyl]phenyl]-5,6-dimethylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine has a molecular weight of 365.86 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-[chloro(dideuterio)methyl]phenyl]-5,6-dimethylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine is sourced from PubChem (CID 171496465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).