[4-[2-(2-amino-3-pyridinyl)-5-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methanol

C23H18N6O — CID 171493964

IUPAC[4-[2-(2-amino-3-pyridinyl)-5-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methanol
SMILESNc1ncccc1-c1nc2ccc(-c3cccnc3)nc2n1-c1ccc(CO)cc1
InChIInChI=1S/C23H18N6O/c24-21-18(4-2-12-26-21)22-28-20-10-9-19(16-3-1-11-25-13-16)27-23(20)29(22)17-7-5-15(14-30)6-8-17/h1-13,30H,14H2,(H2,24,26)
InChIKeyHBIJGQWPKYZHJW-UHFFFAOYSA-N
MW394.44 g/mol
LogP3.62
Rot. Bonds4

About [4-[2-(2-amino-3-pyridinyl)-5-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methanol

[4-[2-(2-amino-3-pyridinyl)-5-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methanol (PubChem CID 171493964) has the molecular formula C23H18N6O and a molecular weight of 394.44 g/mol. Its IUPAC name is [4-[2-(2-amino-3-pyridinyl)-5-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[2-(2-amino-3-pyridinyl)-5-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methanol
PubChem CID171493964
Molecular FormulaC23H18N6O
Molecular Weight394.44 g/mol
Exact Mass394.15
IUPAC Name[4-[2-(2-amino-3-pyridinyl)-5-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methanol
SMILESNc1ncccc1-c1nc2ccc(-c3cccnc3)nc2n1-c1ccc(CO)cc1
InChIInChI=1S/C23H18N6O/c24-21-18(4-2-12-26-21)22-28-20-10-9-19(16-3-1-11-25-13-16)27-23(20)29(22)17-7-5-15(14-30)6-8-17/h1-13,30H,14H2,(H2,24,26)
InChIKeyHBIJGQWPKYZHJW-UHFFFAOYSA-N
XLogP3.62
TPSA102.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[3-[4-(chloromethyl)phenyl]-5-pyridin-3-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 171493895
[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methanol
CID 169175454
[4-[2-(2-amino-3-pyridinyl)-5-(5-isocyano-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol
CID 171599493
2-[4-[2-(2-amino-3-pyridinyl)-5-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl]phenyl]-N-phenylacetamide
CID 58344924
ethane;3-[3-(4-ethylphenyl)-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 171102945
[4-[2-(2-amino-3-pyridinyl)-5-[2-(fluoromethyl)triazol-4-yl]imidazo[4,5-b]pyridin-3-yl]phenyl]methanol;ethane
CID 171495487
[4-[2-(2-amino-3-pyridinyl)-5-(1,3-dimethylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol
CID 171495357
[4-[2-(2-amino-3-pyridinyl)-5-(1-propan-2-yltriazol-4-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol
CID 171599297
[4-[2-(2-amino-3-pyridinyl)-5-(5-cyclopropyl-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol
CID 171495649
3-[3-[4-(chloromethyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethene
CID 171103414
2-amino-2-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]ethanol
CID 169175573
[2-(2-amino-3-pyridinyl)-3-[4-(hydroxymethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]carbamic acid
CID 174235787

Frequently Asked Questions

What is the IUPAC name of [4-[2-(2-amino-3-pyridinyl)-5-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methanol?
The IUPAC name of [4-[2-(2-amino-3-pyridinyl)-5-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methanol (CID 171493964) is [4-[2-(2-amino-3-pyridinyl)-5-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methanol.
What is the SMILES notation for [4-[2-(2-amino-3-pyridinyl)-5-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methanol?
The canonical SMILES for [4-[2-(2-amino-3-pyridinyl)-5-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methanol is Nc1ncccc1-c1nc2ccc(-c3cccnc3)nc2n1-c1ccc(CO)cc1.
What is the InChIKey of [4-[2-(2-amino-3-pyridinyl)-5-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methanol?
The InChIKey is HBIJGQWPKYZHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6O/c24-21-18(4-2-12-26-21)22-28-20-10-9-19(16-3-1-11-25-13-16)27-23(20)29(22)17-7-5-15(14-30)6-8-17/h1-13,30H,14H2,(H2,24,26).
What are the key properties of [4-[2-(2-amino-3-pyridinyl)-5-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methanol?
[4-[2-(2-amino-3-pyridinyl)-5-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methanol has a molecular weight of 394.44 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2-amino-3-pyridinyl)-5-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methanol is sourced from PubChem (CID 171493964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).