5-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[4,5-b]pyridine

C23H21FN6 — CID 169033419

IUPAC5-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[4,5-b]pyridine
SMILESFc1ccc(-c2nc3ccc(N4C[C@H]5CC[C@@H](C4)N5)nc3n2-c2ccncc2)cc1
InChIInChI=1S/C23H21FN6/c24-16-3-1-15(2-4-16)22-27-20-7-8-21(29-13-17-5-6-18(14-29)26-17)28-23(20)30(22)19-9-11-25-12-10-19/h1-4,7-12,17-18,26H,5-6,13-14H2/t17-,18+
InChIKeyBMTRSKHBMBIWAK-HDICACEKSA-N
MW400.46 g/mol
LogP3.56
Rot. Bonds3

About 5-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[4,5-b]pyridine

5-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[4,5-b]pyridine (PubChem CID 169033419) has the molecular formula C23H21FN6 and a molecular weight of 400.46 g/mol. Its IUPAC name is 5-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name5-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[4,5-b]pyridine
PubChem CID169033419
Molecular FormulaC23H21FN6
Molecular Weight400.46 g/mol
Exact Mass400.18
IUPAC Name5-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[4,5-b]pyridine
SMILESFc1ccc(-c2nc3ccc(N4C[C@H]5CC[C@@H](C4)N5)nc3n2-c2ccncc2)cc1
InChIInChI=1S/C23H21FN6/c24-16-3-1-15(2-4-16)22-27-20-7-8-21(29-13-17-5-6-18(14-29)26-17)28-23(20)30(22)19-9-11-25-12-10-19/h1-4,7-12,17-18,26H,5-6,13-14H2/t17-,18+
InChIKeyBMTRSKHBMBIWAK-HDICACEKSA-N
XLogP3.56
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[4,5-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-[(1R,4R)-2,5-diazabicyclo[2.2.2]octan-2-yl]-3-pyridin-4-ylimidazo[4,5-b]pyridine
CID 169033345
2-(3-chlorophenyl)-5-(4,7-diazaspiro[2.5]octan-7-yl)-3-pyridin-4-ylimidazo[4,5-b]pyridine
CID 169033521
2-(5-chlorothiophen-2-yl)-5-piperazin-1-yl-3-pyridin-4-ylimidazo[4,5-b]pyridine
CID 169033339
(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
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
3-pyridin-4-yl-3,9-diazabicyclo[4.2.1]nonane
CID 115314620
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
N-[4-[2-(4-fluorophenyl)-5-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]imidazo[4,5-b]pyridin-3-yl]-2-pyridinyl]benzamide
CID 170220642
2-(5-chloro-2-fluorophenyl)-5-[(2R)-2-methylpiperazin-1-yl]-3-pyridin-4-ylimidazo[4,5-b]pyridine
CID 174115816
6-[2-(4-fluorophenyl)-5-methylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1,3-benzothiazole
CID 175719364
6-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-(4-fluorophenyl)-1-pyrimidin-4-ylbenzimidazole
CID 169033394

Frequently Asked Questions

What is the IUPAC name of 5-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[4,5-b]pyridine?
The IUPAC name of 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) is 5-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[4,5-b]pyridine.
What is the SMILES notation for 5-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[4,5-b]pyridine?
The canonical SMILES for 5-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[4,5-b]pyridine is Fc1ccc(-c2nc3ccc(N4C[C@H]5CC[C@@H](C4)N5)nc3n2-c2ccncc2)cc1.
What is the InChIKey of 5-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[4,5-b]pyridine?
The InChIKey is BMTRSKHBMBIWAK-HDICACEKSA-N. The full InChI is InChI=1S/C23H21FN6/c24-16-3-1-15(2-4-16)22-27-20-7-8-21(29-13-17-5-6-18(14-29)26-17)28-23(20)30(22)19-9-11-25-12-10-19/h1-4,7-12,17-18,26H,5-6,13-14H2/t17-,18+.
What are the key properties of 5-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[4,5-b]pyridine?
5-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[4,5-b]pyridine has a molecular weight of 400.46 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[4,5-b]pyridine is sourced from PubChem (CID 169033419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).