4-[2-[[5-(5-fluoro-3-pyridinyl)-3-propan-2-ylimidazo[4,5-b]pyridin-7-yl]amino]ethyl]phenol

C22H22FN5O — CID 46216215

IUPAC4-[2-[[5-(5-fluoro-3-pyridinyl)-3-propan-2-ylimidazo[4,5-b]pyridin-7-yl]amino]ethyl]phenol
SMILESCC(C)n1cnc2c(NCCc3ccc(O)cc3)cc(-c3cncc(F)c3)nc21
InChIInChI=1S/C22H22FN5O/c1-14(2)28-13-26-21-20(25-8-7-15-3-5-18(29)6-4-15)10-19(27-22(21)28)16-9-17(23)12-24-11-16/h3-6,9-14,29H,7-8H2,1-2H3,(H,25,27)
InChIKeyQZQUMWDRCWZRSX-UHFFFAOYSA-N
MW391.45 g/mol
LogP4.57
Rot. Bonds6

About 4-[2-[[5-(5-fluoro-3-pyridinyl)-3-propan-2-ylimidazo[4,5-b]pyridin-7-yl]amino]ethyl]phenol

4-[2-[[5-(5-fluoro-3-pyridinyl)-3-propan-2-ylimidazo[4,5-b]pyridin-7-yl]amino]ethyl]phenol (PubChem CID 46216215) has the molecular formula C22H22FN5O and a molecular weight of 391.45 g/mol. Its IUPAC name is 4-[2-[[5-(5-fluoro-3-pyridinyl)-3-propan-2-ylimidazo[4,5-b]pyridin-7-yl]amino]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[[5-(5-fluoro-3-pyridinyl)-3-propan-2-ylimidazo[4,5-b]pyridin-7-yl]amino]ethyl]phenol
PubChem CID46216215
Molecular FormulaC22H22FN5O
Molecular Weight391.45 g/mol
Exact Mass391.18
IUPAC Name4-[2-[[5-(5-fluoro-3-pyridinyl)-3-propan-2-ylimidazo[4,5-b]pyridin-7-yl]amino]ethyl]phenol
SMILESCC(C)n1cnc2c(NCCc3ccc(O)cc3)cc(-c3cncc(F)c3)nc21
InChIInChI=1S/C22H22FN5O/c1-14(2)28-13-26-21-20(25-8-7-15-3-5-18(29)6-4-15)10-19(27-22(21)28)16-9-17(23)12-24-11-16/h3-6,9-14,29H,7-8H2,1-2H3,(H,25,27)
InChIKeyQZQUMWDRCWZRSX-UHFFFAOYSA-N
XLogP4.57
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[[5-(5-fluoro-3-pyridinyl)-3-propan-2-ylimidazo[4,5-b]pyridin-7-yl]amino]ethyl]phenol?
The IUPAC name of 4-[2-[[5-(5-fluoro-3-pyridinyl)-3-propan-2-ylimidazo[4,5-b]pyridin-7-yl]amino]ethyl]phenol (CID 46216215) is 4-[2-[[5-(5-fluoro-3-pyridinyl)-3-propan-2-ylimidazo[4,5-b]pyridin-7-yl]amino]ethyl]phenol.
What is the SMILES notation for 4-[2-[[5-(5-fluoro-3-pyridinyl)-3-propan-2-ylimidazo[4,5-b]pyridin-7-yl]amino]ethyl]phenol?
The canonical SMILES for 4-[2-[[5-(5-fluoro-3-pyridinyl)-3-propan-2-ylimidazo[4,5-b]pyridin-7-yl]amino]ethyl]phenol is CC(C)n1cnc2c(NCCc3ccc(O)cc3)cc(-c3cncc(F)c3)nc21.
What is the InChIKey of 4-[2-[[5-(5-fluoro-3-pyridinyl)-3-propan-2-ylimidazo[4,5-b]pyridin-7-yl]amino]ethyl]phenol?
The InChIKey is QZQUMWDRCWZRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O/c1-14(2)28-13-26-21-20(25-8-7-15-3-5-18(29)6-4-15)10-19(27-22(21)28)16-9-17(23)12-24-11-16/h3-6,9-14,29H,7-8H2,1-2H3,(H,25,27).
What are the key properties of 4-[2-[[5-(5-fluoro-3-pyridinyl)-3-propan-2-ylimidazo[4,5-b]pyridin-7-yl]amino]ethyl]phenol?
4-[2-[[5-(5-fluoro-3-pyridinyl)-3-propan-2-ylimidazo[4,5-b]pyridin-7-yl]amino]ethyl]phenol has a molecular weight of 391.45 g/mol, XLogP of 4.57, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[5-(5-fluoro-3-pyridinyl)-3-propan-2-ylimidazo[4,5-b]pyridin-7-yl]amino]ethyl]phenol is sourced from PubChem (CID 46216215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).