3-[3-[4-[(4-fluorophenyl)-hydroxy-pyridin-2-ylmethyl]piperidin-1-yl]propyl]-1H-imidazo[4,5-b]pyridin-2-one

C26H28FN5O2 — CID 14207126

IUPAC3-[3-[4-[(4-fluorophenyl)-hydroxy-pyridin-2-ylmethyl]piperidin-1-yl]propyl]-1H-imidazo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2cccnc2n1CCCN1CCC(C(O)(c2ccc(F)cc2)c2ccccn2)CC1
InChIInChI=1S/C26H28FN5O2/c27-21-9-7-19(8-10-21)26(34,23-6-1-2-13-28-23)20-11-17-31(18-12-20)15-4-16-32-24-22(30-25(32)33)5-3-14-29-24/h1-3,5-10,13-14,20,34H,4,11-12,15-18H2,(H,30,33)
InChIKeyATKUZSCMCHKEQG-UHFFFAOYSA-N
MW461.54 g/mol
LogP3.30
Rot. Bonds7

About 3-[3-[4-[(4-fluorophenyl)-hydroxy-pyridin-2-ylmethyl]piperidin-1-yl]propyl]-1H-imidazo[4,5-b]pyridin-2-one

3-[3-[4-[(4-fluorophenyl)-hydroxy-pyridin-2-ylmethyl]piperidin-1-yl]propyl]-1H-imidazo[4,5-b]pyridin-2-one (PubChem CID 14207126) has the molecular formula C26H28FN5O2 and a molecular weight of 461.54 g/mol. Its IUPAC name is 3-[3-[4-[(4-fluorophenyl)-hydroxy-pyridin-2-ylmethyl]piperidin-1-yl]propyl]-1H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name3-[3-[4-[(4-fluorophenyl)-hydroxy-pyridin-2-ylmethyl]piperidin-1-yl]propyl]-1H-imidazo[4,5-b]pyridin-2-one
PubChem CID14207126
Molecular FormulaC26H28FN5O2
Molecular Weight461.54 g/mol
Exact Mass461.22
IUPAC Name3-[3-[4-[(4-fluorophenyl)-hydroxy-pyridin-2-ylmethyl]piperidin-1-yl]propyl]-1H-imidazo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2cccnc2n1CCCN1CCC(C(O)(c2ccc(F)cc2)c2ccccn2)CC1
InChIInChI=1S/C26H28FN5O2/c27-21-9-7-19(8-10-21)26(34,23-6-1-2-13-28-23)20-11-17-31(18-12-20)15-4-16-32-24-22(30-25(32)33)5-3-14-29-24/h1-3,5-10,13-14,20,34H,4,11-12,15-18H2,(H,30,33)
InChIKeyATKUZSCMCHKEQG-UHFFFAOYSA-N
XLogP3.30
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.54
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-[(4-fluorophenyl)-hydroxy-pyridin-2-ylmethyl]piperidin-1-yl]propyl]-1H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 3-[3-[4-[(4-fluorophenyl)-hydroxy-pyridin-2-ylmethyl]piperidin-1-yl]propyl]-1H-imidazo[4,5-b]pyridin-2-one (CID 14207126) is 3-[3-[4-[(4-fluorophenyl)-hydroxy-pyridin-2-ylmethyl]piperidin-1-yl]propyl]-1H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 3-[3-[4-[(4-fluorophenyl)-hydroxy-pyridin-2-ylmethyl]piperidin-1-yl]propyl]-1H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 3-[3-[4-[(4-fluorophenyl)-hydroxy-pyridin-2-ylmethyl]piperidin-1-yl]propyl]-1H-imidazo[4,5-b]pyridin-2-one is O=c1[nH]c2cccnc2n1CCCN1CCC(C(O)(c2ccc(F)cc2)c2ccccn2)CC1.
What is the InChIKey of 3-[3-[4-[(4-fluorophenyl)-hydroxy-pyridin-2-ylmethyl]piperidin-1-yl]propyl]-1H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is ATKUZSCMCHKEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN5O2/c27-21-9-7-19(8-10-21)26(34,23-6-1-2-13-28-23)20-11-17-31(18-12-20)15-4-16-32-24-22(30-25(32)33)5-3-14-29-24/h1-3,5-10,13-14,20,34H,4,11-12,15-18H2,(H,30,33).
What are the key properties of 3-[3-[4-[(4-fluorophenyl)-hydroxy-pyridin-2-ylmethyl]piperidin-1-yl]propyl]-1H-imidazo[4,5-b]pyridin-2-one?
3-[3-[4-[(4-fluorophenyl)-hydroxy-pyridin-2-ylmethyl]piperidin-1-yl]propyl]-1H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 461.54 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-[(4-fluorophenyl)-hydroxy-pyridin-2-ylmethyl]piperidin-1-yl]propyl]-1H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 14207126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).