[4-[2-(2-amino-3-pyridinyl)-5-(1-propan-2-yltriazol-4-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol

C23H22N8O — CID 171599297

IUPAC[4-[2-(2-amino-3-pyridinyl)-5-(1-propan-2-yltriazol-4-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol
SMILESCC(C)n1cc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(CO)cc4)c3n2)nn1
InChIInChI=1S/C23H22N8O/c1-14(2)30-12-20(28-29-30)18-9-10-19-23(26-18)31(16-7-5-15(13-32)6-8-16)22(27-19)17-4-3-11-25-21(17)24/h3-12,14,32H,13H2,1-2H3,(H2,24,25)
InChIKeyYBVMPRLUUOYQIE-UHFFFAOYSA-N
MW426.48 g/mol
LogP3.40
Rot. Bonds5

About [4-[2-(2-amino-3-pyridinyl)-5-(1-propan-2-yltriazol-4-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol

[4-[2-(2-amino-3-pyridinyl)-5-(1-propan-2-yltriazol-4-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol (PubChem CID 171599297) has the molecular formula C23H22N8O and a molecular weight of 426.48 g/mol. Its IUPAC name is [4-[2-(2-amino-3-pyridinyl)-5-(1-propan-2-yltriazol-4-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[2-(2-amino-3-pyridinyl)-5-(1-propan-2-yltriazol-4-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol
PubChem CID171599297
Molecular FormulaC23H22N8O
Molecular Weight426.48 g/mol
Exact Mass426.19
IUPAC Name[4-[2-(2-amino-3-pyridinyl)-5-(1-propan-2-yltriazol-4-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol
SMILESCC(C)n1cc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(CO)cc4)c3n2)nn1
InChIInChI=1S/C23H22N8O/c1-14(2)30-12-20(28-29-30)18-9-10-19-23(26-18)31(16-7-5-15(13-32)6-8-16)22(27-19)17-4-3-11-25-21(17)24/h3-12,14,32H,13H2,1-2H3,(H2,24,25)
InChIKeyYBVMPRLUUOYQIE-UHFFFAOYSA-N
XLogP3.40
TPSA120.56 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(2-amino-3-pyridinyl)-5-(1-propan-2-yltriazol-4-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol?
The IUPAC name of [4-[2-(2-amino-3-pyridinyl)-5-(1-propan-2-yltriazol-4-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol (CID 171599297) is [4-[2-(2-amino-3-pyridinyl)-5-(1-propan-2-yltriazol-4-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol.
What is the SMILES notation for [4-[2-(2-amino-3-pyridinyl)-5-(1-propan-2-yltriazol-4-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol?
The canonical SMILES for [4-[2-(2-amino-3-pyridinyl)-5-(1-propan-2-yltriazol-4-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol is CC(C)n1cc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(CO)cc4)c3n2)nn1.
What is the InChIKey of [4-[2-(2-amino-3-pyridinyl)-5-(1-propan-2-yltriazol-4-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol?
The InChIKey is YBVMPRLUUOYQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N8O/c1-14(2)30-12-20(28-29-30)18-9-10-19-23(26-18)31(16-7-5-15(13-32)6-8-16)22(27-19)17-4-3-11-25-21(17)24/h3-12,14,32H,13H2,1-2H3,(H2,24,25).
What are the key properties of [4-[2-(2-amino-3-pyridinyl)-5-(1-propan-2-yltriazol-4-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol?
[4-[2-(2-amino-3-pyridinyl)-5-(1-propan-2-yltriazol-4-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol has a molecular weight of 426.48 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2-amino-3-pyridinyl)-5-(1-propan-2-yltriazol-4-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol is sourced from PubChem (CID 171599297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).