(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

C22H17F2N5O — CID 169033381

IUPAC(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
SMILESFc1ccc(-c2nc3ccc(N4C[C@H]5C[C@@H]4CO5)nc3n2-c2ccncc2)c(F)c1
InChIInChI=1S/C22H17F2N5O/c23-13-1-2-17(18(24)9-13)21-26-19-3-4-20(28-11-16-10-15(28)12-30-16)27-22(19)29(21)14-5-7-25-8-6-14/h1-9,15-16H,10-12H2/t15-,16-/m1/s1
InChIKeyAMJANFCIHLYDCM-HZPDHXFCSA-N
MW405.41 g/mol
LogP3.74
Rot. Bonds3

About (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

(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 (PubChem CID 169033381) has the molecular formula C22H17F2N5O and a molecular weight of 405.41 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID169033381
Molecular FormulaC22H17F2N5O
Molecular Weight405.41 g/mol
Exact Mass405.14
IUPAC Name(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
SMILESFc1ccc(-c2nc3ccc(N4C[C@H]5C[C@@H]4CO5)nc3n2-c2ccncc2)c(F)c1
InChIInChI=1S/C22H17F2N5O/c23-13-1-2-17(18(24)9-13)21-26-19-3-4-20(28-11-16-10-15(28)12-30-16)27-22(19)29(21)14-5-7-25-8-6-14/h1-9,15-16H,10-12H2/t15-,16-/m1/s1
InChIKeyAMJANFCIHLYDCM-HZPDHXFCSA-N
XLogP3.74
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.41
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (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 with MolForge

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Related Compounds

2-(2,4-difluorophenyl)-5-(2-methylpiperazin-1-yl)-3-pyridazin-4-ylimidazo[4,5-b]pyridine
CID 169033466
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
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
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
5-(5-fluoropyrimidin-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane
CID 121020713
4-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-2-amine
CID 131187094
2-(2-fluorophenyl)-3-pyridin-4-ylimidazo[4,5-b]pyridine
CID 83430661
(1S,4S)-5-(2,6-dichloropyrimidin-4-yl)-2-oxa-5-azabicyclo[2.2.1]heptane
CID 169246358
5-(2,6-dichloropyrimidin-4-yl)-2-oxa-5-azabicyclo[2.2.1]heptane
CID 131048767
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
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

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Fc1ccc(-c2nc3ccc(N4C[C@H]5C[C@@H]4CO5)nc3n2-c2ccncc2)c(F)c1.
What is the InChIKey of (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?
The InChIKey is AMJANFCIHLYDCM-HZPDHXFCSA-N. The full InChI is InChI=1S/C22H17F2N5O/c23-13-1-2-17(18(24)9-13)21-26-19-3-4-20(28-11-16-10-15(28)12-30-16)27-22(19)29(21)14-5-7-25-8-6-14/h1-9,15-16H,10-12H2/t15-,16-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 405.41 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 169033381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).