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

C23H16ClF2N7O — CID 177316904

IUPAC3-[3-[4-(chloromethyl)phenyl]-5-[5-(difluoromethoxy)pyrazin-2-yl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
SMILESNc1ncccc1-c1nc2ccc(-c3cnc(OC(F)F)cn3)nc2n1-c1ccc(CCl)cc1
InChIInChI=1S/C23H16ClF2N7O/c24-10-13-3-5-14(6-4-13)33-21(15-2-1-9-28-20(15)27)32-17-8-7-16(31-22(17)33)18-11-30-19(12-29-18)34-23(25)26/h1-9,11-12,23H,10H2,(H2,27,28)
InChIKeyJFTFORUGYSLDHS-UHFFFAOYSA-N
MW479.88 g/mol
LogP4.86
Rot. Bonds6

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

3-[3-[4-(chloromethyl)phenyl]-5-[5-(difluoromethoxy)pyrazin-2-yl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (PubChem CID 177316904) has the molecular formula C23H16ClF2N7O and a molecular weight of 479.88 g/mol. Its IUPAC name is 3-[3-[4-(chloromethyl)phenyl]-5-[5-(difluoromethoxy)pyrazin-2-yl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-[3-[4-(chloromethyl)phenyl]-5-[5-(difluoromethoxy)pyrazin-2-yl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
PubChem CID177316904
Molecular FormulaC23H16ClF2N7O
Molecular Weight479.88 g/mol
Exact Mass479.11
IUPAC Name3-[3-[4-(chloromethyl)phenyl]-5-[5-(difluoromethoxy)pyrazin-2-yl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
SMILESNc1ncccc1-c1nc2ccc(-c3cnc(OC(F)F)cn3)nc2n1-c1ccc(CCl)cc1
InChIInChI=1S/C23H16ClF2N7O/c24-10-13-3-5-14(6-4-13)33-21(15-2-1-9-28-20(15)27)32-17-8-7-16(31-22(17)33)18-11-30-19(12-29-18)34-23(25)26/h1-9,11-12,23H,10H2,(H2,27,28)
InChIKeyJFTFORUGYSLDHS-UHFFFAOYSA-N
XLogP4.86
TPSA104.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.88
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-pyridin-3-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 171493895
3-[3-[4-(chloromethyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethene
CID 171103414
3-[3-[4-(chloromethyl)phenyl]-5-(4-methoxy-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 171494268
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
6-[2-(2-amino-3-pyridinyl)-3-[4-(chloromethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2-carbonitrile;ethane
CID 171495399
5-[2-(2-amino-3-pyridinyl)-3-[4-(chloromethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2-carbonitrile
CID 171494572
ethane;3-[3-(4-ethylphenyl)-5-[5-(fluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 171495372
3-[9-[4-(chloromethyl)phenyl]purin-8-yl]pyridin-2-amine
CID 171495281
3-[3-[4-(chloromethyl)phenyl]-5-(3-isocyanophenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 171599525
methyl 4-[2-(2-amino-3-pyridinyl)-5-[5-(difluoromethoxy)-2-pyridinyl]imidazo[4,5-b]pyridin-3-yl]benzoate
CID 177316625
[4-[2-(2-amino-3-pyridinyl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl acetate
CID 177317078

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(chloromethyl)phenyl]-5-[5-(difluoromethoxy)pyrazin-2-yl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
The IUPAC name of 3-[3-[4-(chloromethyl)phenyl]-5-[5-(difluoromethoxy)pyrazin-2-yl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (CID 177316904) is 3-[3-[4-(chloromethyl)phenyl]-5-[5-(difluoromethoxy)pyrazin-2-yl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine.
What is the SMILES notation for 3-[3-[4-(chloromethyl)phenyl]-5-[5-(difluoromethoxy)pyrazin-2-yl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
The canonical SMILES for 3-[3-[4-(chloromethyl)phenyl]-5-[5-(difluoromethoxy)pyrazin-2-yl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine is Nc1ncccc1-c1nc2ccc(-c3cnc(OC(F)F)cn3)nc2n1-c1ccc(CCl)cc1.
What is the InChIKey of 3-[3-[4-(chloromethyl)phenyl]-5-[5-(difluoromethoxy)pyrazin-2-yl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
The InChIKey is JFTFORUGYSLDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClF2N7O/c24-10-13-3-5-14(6-4-13)33-21(15-2-1-9-28-20(15)27)32-17-8-7-16(31-22(17)33)18-11-30-19(12-29-18)34-23(25)26/h1-9,11-12,23H,10H2,(H2,27,28).
What are the key properties of 3-[3-[4-(chloromethyl)phenyl]-5-[5-(difluoromethoxy)pyrazin-2-yl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
3-[3-[4-(chloromethyl)phenyl]-5-[5-(difluoromethoxy)pyrazin-2-yl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine has a molecular weight of 479.88 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(chloromethyl)phenyl]-5-[5-(difluoromethoxy)pyrazin-2-yl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine is sourced from PubChem (CID 177316904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).