[4-[2-(3-aminopyrazin-2-yl)-5-(6-methoxy-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol

C23H19N7O2 — CID 171599374

IUPAC[4-[2-(3-aminopyrazin-2-yl)-5-(6-methoxy-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol
SMILESCOc1ccc(-c2ccc3nc(-c4nccnc4N)n(-c4ccc(CO)cc4)c3n2)cn1
InChIInChI=1S/C23H19N7O2/c1-32-19-9-4-15(12-27-19)17-7-8-18-22(28-17)30(16-5-2-14(13-31)3-6-16)23(29-18)20-21(24)26-11-10-25-20/h2-12,31H,13H2,1H3,(H2,24,26)
InChIKeyBEANOKYRHXYJAY-UHFFFAOYSA-N
MW425.45 g/mol
LogP3.02
Rot. Bonds5

About [4-[2-(3-aminopyrazin-2-yl)-5-(6-methoxy-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol

[4-[2-(3-aminopyrazin-2-yl)-5-(6-methoxy-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol (PubChem CID 171599374) has the molecular formula C23H19N7O2 and a molecular weight of 425.45 g/mol. Its IUPAC name is [4-[2-(3-aminopyrazin-2-yl)-5-(6-methoxy-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[2-(3-aminopyrazin-2-yl)-5-(6-methoxy-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol
PubChem CID171599374
Molecular FormulaC23H19N7O2
Molecular Weight425.45 g/mol
Exact Mass425.16
IUPAC Name[4-[2-(3-aminopyrazin-2-yl)-5-(6-methoxy-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol
SMILESCOc1ccc(-c2ccc3nc(-c4nccnc4N)n(-c4ccc(CO)cc4)c3n2)cn1
InChIInChI=1S/C23H19N7O2/c1-32-19-9-4-15(12-27-19)17-7-8-18-22(28-17)30(16-5-2-14(13-31)3-6-16)23(29-18)20-21(24)26-11-10-25-20/h2-12,31H,13H2,1H3,(H2,24,26)
InChIKeyBEANOKYRHXYJAY-UHFFFAOYSA-N
XLogP3.02
TPSA124.86 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.45
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(3-aminopyrazin-2-yl)-5-(6-methoxy-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol?
The IUPAC name of [4-[2-(3-aminopyrazin-2-yl)-5-(6-methoxy-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol (CID 171599374) is [4-[2-(3-aminopyrazin-2-yl)-5-(6-methoxy-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol.
What is the SMILES notation for [4-[2-(3-aminopyrazin-2-yl)-5-(6-methoxy-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol?
The canonical SMILES for [4-[2-(3-aminopyrazin-2-yl)-5-(6-methoxy-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol is COc1ccc(-c2ccc3nc(-c4nccnc4N)n(-c4ccc(CO)cc4)c3n2)cn1.
What is the InChIKey of [4-[2-(3-aminopyrazin-2-yl)-5-(6-methoxy-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol?
The InChIKey is BEANOKYRHXYJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N7O2/c1-32-19-9-4-15(12-27-19)17-7-8-18-22(28-17)30(16-5-2-14(13-31)3-6-16)23(29-18)20-21(24)26-11-10-25-20/h2-12,31H,13H2,1H3,(H2,24,26).
What are the key properties of [4-[2-(3-aminopyrazin-2-yl)-5-(6-methoxy-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol?
[4-[2-(3-aminopyrazin-2-yl)-5-(6-methoxy-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol has a molecular weight of 425.45 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(3-aminopyrazin-2-yl)-5-(6-methoxy-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol is sourced from PubChem (CID 171599374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).