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

C25H22N6O — CID 169175573

IUPAC2-amino-2-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]ethanol
SMILESNc1ncccc1-c1nc2ccc(-c3ccccc3)nc2n1-c1ccc(C(N)CO)cc1
InChIInChI=1S/C25H22N6O/c26-20(15-32)16-8-10-18(11-9-16)31-24(19-7-4-14-28-23(19)27)30-22-13-12-21(29-25(22)31)17-5-2-1-3-6-17/h1-14,20,32H,15,26H2,(H2,27,28)
InChIKeyWEGNSBVJWZHXNF-UHFFFAOYSA-N
MW422.49 g/mol
LogP3.72
Rot. Bonds5

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

2-amino-2-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]ethanol (PubChem CID 169175573) has the molecular formula C25H22N6O and a molecular weight of 422.49 g/mol. Its IUPAC name is 2-amino-2-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]ethanol.

Molecular Properties

Compound Name2-amino-2-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]ethanol
PubChem CID169175573
Molecular FormulaC25H22N6O
Molecular Weight422.49 g/mol
Exact Mass422.19
IUPAC Name2-amino-2-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]ethanol
SMILESNc1ncccc1-c1nc2ccc(-c3ccccc3)nc2n1-c1ccc(C(N)CO)cc1
InChIInChI=1S/C25H22N6O/c26-20(15-32)16-8-10-18(11-9-16)31-24(19-7-4-14-28-23(19)27)30-22-13-12-21(29-25(22)31)17-5-2-1-3-6-17/h1-14,20,32H,15,26H2,(H2,27,28)
InChIKeyWEGNSBVJWZHXNF-UHFFFAOYSA-N
XLogP3.72
TPSA115.87 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]ethanol?
The IUPAC name of 2-amino-2-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]ethanol (CID 169175573) is 2-amino-2-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]ethanol.
What is the SMILES notation for 2-amino-2-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]ethanol?
The canonical SMILES for 2-amino-2-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]ethanol is Nc1ncccc1-c1nc2ccc(-c3ccccc3)nc2n1-c1ccc(C(N)CO)cc1.
What is the InChIKey of 2-amino-2-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]ethanol?
The InChIKey is WEGNSBVJWZHXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O/c26-20(15-32)16-8-10-18(11-9-16)31-24(19-7-4-14-28-23(19)27)30-22-13-12-21(29-25(22)31)17-5-2-1-3-6-17/h1-14,20,32H,15,26H2,(H2,27,28).
What are the key properties of 2-amino-2-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]ethanol?
2-amino-2-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]ethanol has a molecular weight of 422.49 g/mol, XLogP of 3.72, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]ethanol is sourced from PubChem (CID 169175573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).