2-(5-chloro-2-fluorophenyl)-5-[(1R,4R)-2,5-diazabicyclo[2.2.2]octan-2-yl]-3-pyridin-4-ylimidazo[4,5-b]pyridine

C23H20ClFN6 — CID 169033345

IUPAC2-(5-chloro-2-fluorophenyl)-5-[(1R,4R)-2,5-diazabicyclo[2.2.2]octan-2-yl]-3-pyridin-4-ylimidazo[4,5-b]pyridine
SMILESFc1ccc(Cl)cc1-c1nc2ccc(N3C[C@H]4CC[C@@H]3CN4)nc2n1-c1ccncc1
InChIInChI=1S/C23H20ClFN6/c24-14-1-4-19(25)18(11-14)22-28-20-5-6-21(30-13-15-2-3-17(30)12-27-15)29-23(20)31(22)16-7-9-26-10-8-16/h1,4-11,15,17,27H,2-3,12-13H2/t15-,17-/m1/s1
InChIKeyUHAFCHWWOSTKMI-NVXWUHKLSA-N
MW434.91 g/mol
LogP4.22
Rot. Bonds3

About 2-(5-chloro-2-fluorophenyl)-5-[(1R,4R)-2,5-diazabicyclo[2.2.2]octan-2-yl]-3-pyridin-4-ylimidazo[4,5-b]pyridine

2-(5-chloro-2-fluorophenyl)-5-[(1R,4R)-2,5-diazabicyclo[2.2.2]octan-2-yl]-3-pyridin-4-ylimidazo[4,5-b]pyridine (PubChem CID 169033345) has the molecular formula C23H20ClFN6 and a molecular weight of 434.91 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-5-[(1R,4R)-2,5-diazabicyclo[2.2.2]octan-2-yl]-3-pyridin-4-ylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-5-[(1R,4R)-2,5-diazabicyclo[2.2.2]octan-2-yl]-3-pyridin-4-ylimidazo[4,5-b]pyridine
PubChem CID169033345
Molecular FormulaC23H20ClFN6
Molecular Weight434.91 g/mol
Exact Mass434.14
IUPAC Name2-(5-chloro-2-fluorophenyl)-5-[(1R,4R)-2,5-diazabicyclo[2.2.2]octan-2-yl]-3-pyridin-4-ylimidazo[4,5-b]pyridine
SMILESFc1ccc(Cl)cc1-c1nc2ccc(N3C[C@H]4CC[C@@H]3CN4)nc2n1-c1ccncc1
InChIInChI=1S/C23H20ClFN6/c24-14-1-4-19(25)18(11-14)22-28-20-5-6-21(30-13-15-2-3-17(30)12-27-15)29-23(20)31(22)16-7-9-26-10-8-16/h1,4-11,15,17,27H,2-3,12-13H2/t15-,17-/m1/s1
InChIKeyUHAFCHWWOSTKMI-NVXWUHKLSA-N
XLogP4.22
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.91
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(5-chloro-2-fluorophenyl)-5-[(1R,4R)-2,5-diazabicyclo[2.2.2]octan-2-yl]-3-pyridin-4-ylimidazo[4,5-b]pyridine with MolForge

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Related Compounds

5-[(1R,4R)-2,5-diazabicyclo[2.2.2]octan-2-yl]-2-pyridin-3-yl-3-pyridin-4-ylimidazo[4,5-b]pyridine
CID 169033456
2-(5-chloro-2-fluorophenyl)-5-[(2R)-2-methylpiperazin-1-yl]-3-pyridin-4-ylimidazo[4,5-b]pyridine
CID 174115816
2-(5-chloro-2-fluorophenyl)-5-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-3-pyridin-4-ylimidazo[4,5-b]pyridine
CID 169033225
(1R,4R)-5-[2-(2,4-difluorophenyl)-3-pyridin-4-ylimidazo[4,5-b]pyridin-5-yl]-2-oxa-5-azabicyclo[2.2.1]heptane
CID 169033381
5-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[4,5-b]pyridine
CID 169033419
N-[4-[5-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]-2-pyridinyl]cyclopropanecarboxamide
CID 169033302
2-(2-fluorophenyl)-3-pyridin-4-ylimidazo[4,5-b]pyridine
CID 83430661
2-(3-chlorophenyl)-5-(4,7-diazaspiro[2.5]octan-7-yl)-3-pyridin-4-ylimidazo[4,5-b]pyridine
CID 169033521
6-[(1R,4R)-2,5-diazabicyclo[2.2.2]octan-2-yl]-N-(2-fluoro-3-methylphenyl)pyrido[3,2-d]pyrimidin-4-amine
CID 166538776
2-(5-chlorothiophen-2-yl)-5-piperazin-1-yl-3-pyridin-4-ylimidazo[4,5-b]pyridine
CID 169033339
3-[3-[4-(2,5-diazabicyclo[2.2.2]octan-2-ylmethyl)phenyl]-5-(3-methylcyclobuta-1,3-dien-1-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethane
CID 171494600
2-(2,4-difluorophenyl)-5-(2-methylpiperazin-1-yl)-3-pyridazin-4-ylimidazo[4,5-b]pyridine
CID 169033466

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-5-[(1R,4R)-2,5-diazabicyclo[2.2.2]octan-2-yl]-3-pyridin-4-ylimidazo[4,5-b]pyridine?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-5-[(1R,4R)-2,5-diazabicyclo[2.2.2]octan-2-yl]-3-pyridin-4-ylimidazo[4,5-b]pyridine (CID 169033345) is 2-(5-chloro-2-fluorophenyl)-5-[(1R,4R)-2,5-diazabicyclo[2.2.2]octan-2-yl]-3-pyridin-4-ylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-5-[(1R,4R)-2,5-diazabicyclo[2.2.2]octan-2-yl]-3-pyridin-4-ylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-5-[(1R,4R)-2,5-diazabicyclo[2.2.2]octan-2-yl]-3-pyridin-4-ylimidazo[4,5-b]pyridine is Fc1ccc(Cl)cc1-c1nc2ccc(N3C[C@H]4CC[C@@H]3CN4)nc2n1-c1ccncc1.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-5-[(1R,4R)-2,5-diazabicyclo[2.2.2]octan-2-yl]-3-pyridin-4-ylimidazo[4,5-b]pyridine?
The InChIKey is UHAFCHWWOSTKMI-NVXWUHKLSA-N. The full InChI is InChI=1S/C23H20ClFN6/c24-14-1-4-19(25)18(11-14)22-28-20-5-6-21(30-13-15-2-3-17(30)12-27-15)29-23(20)31(22)16-7-9-26-10-8-16/h1,4-11,15,17,27H,2-3,12-13H2/t15-,17-/m1/s1.
What are the key properties of 2-(5-chloro-2-fluorophenyl)-5-[(1R,4R)-2,5-diazabicyclo[2.2.2]octan-2-yl]-3-pyridin-4-ylimidazo[4,5-b]pyridine?
2-(5-chloro-2-fluorophenyl)-5-[(1R,4R)-2,5-diazabicyclo[2.2.2]octan-2-yl]-3-pyridin-4-ylimidazo[4,5-b]pyridine has a molecular weight of 434.91 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-5-[(1R,4R)-2,5-diazabicyclo[2.2.2]octan-2-yl]-3-pyridin-4-ylimidazo[4,5-b]pyridine is sourced from PubChem (CID 169033345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).