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

C26H22N6O — CID 171495649

IUPAC[4-[2-(2-amino-3-pyridinyl)-5-(5-cyclopropyl-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol
SMILESNc1ncccc1-c1nc2ccc(-c3ccc(C4CC4)cn3)nc2n1-c1ccc(CO)cc1
InChIInChI=1S/C26H22N6O/c27-24-20(2-1-13-28-24)25-31-23-12-11-22(21-10-7-18(14-29-21)17-5-6-17)30-26(23)32(25)19-8-3-16(15-33)4-9-19/h1-4,7-14,17,33H,5-6,15H2,(H2,27,28)
InChIKeyRZZHPPNWPHZRKA-UHFFFAOYSA-N
MW434.50 g/mol
LogP4.50
Rot. Bonds5

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

[4-[2-(2-amino-3-pyridinyl)-5-(5-cyclopropyl-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol (PubChem CID 171495649) has the molecular formula C26H22N6O and a molecular weight of 434.50 g/mol. Its IUPAC name is [4-[2-(2-amino-3-pyridinyl)-5-(5-cyclopropyl-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[2-(2-amino-3-pyridinyl)-5-(5-cyclopropyl-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol
PubChem CID171495649
Molecular FormulaC26H22N6O
Molecular Weight434.50 g/mol
Exact Mass434.19
IUPAC Name[4-[2-(2-amino-3-pyridinyl)-5-(5-cyclopropyl-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol
SMILESNc1ncccc1-c1nc2ccc(-c3ccc(C4CC4)cn3)nc2n1-c1ccc(CO)cc1
InChIInChI=1S/C26H22N6O/c27-24-20(2-1-13-28-24)25-31-23-12-11-22(21-10-7-18(14-29-21)17-5-6-17)30-26(23)32(25)19-8-3-16(15-33)4-9-19/h1-4,7-14,17,33H,5-6,15H2,(H2,27,28)
InChIKeyRZZHPPNWPHZRKA-UHFFFAOYSA-N
XLogP4.50
TPSA102.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(2-amino-3-pyridinyl)-5-(5-cyclopropyl-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol?
The IUPAC name of [4-[2-(2-amino-3-pyridinyl)-5-(5-cyclopropyl-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol (CID 171495649) is [4-[2-(2-amino-3-pyridinyl)-5-(5-cyclopropyl-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol.
What is the SMILES notation for [4-[2-(2-amino-3-pyridinyl)-5-(5-cyclopropyl-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol?
The canonical SMILES for [4-[2-(2-amino-3-pyridinyl)-5-(5-cyclopropyl-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol is Nc1ncccc1-c1nc2ccc(-c3ccc(C4CC4)cn3)nc2n1-c1ccc(CO)cc1.
What is the InChIKey of [4-[2-(2-amino-3-pyridinyl)-5-(5-cyclopropyl-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol?
The InChIKey is RZZHPPNWPHZRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N6O/c27-24-20(2-1-13-28-24)25-31-23-12-11-22(21-10-7-18(14-29-21)17-5-6-17)30-26(23)32(25)19-8-3-16(15-33)4-9-19/h1-4,7-14,17,33H,5-6,15H2,(H2,27,28).
What are the key properties of [4-[2-(2-amino-3-pyridinyl)-5-(5-cyclopropyl-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol?
[4-[2-(2-amino-3-pyridinyl)-5-(5-cyclopropyl-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol has a molecular weight of 434.50 g/mol, XLogP of 4.50, 5 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-(5-cyclopropyl-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol is sourced from PubChem (CID 171495649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).