(1S,5R)-9-[[4-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)phenyl]methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-one

C26H25N5O2 — CID 146315914

IUPAC(1S,5R)-9-[[4-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)phenyl]methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-one
SMILESCc1nc2ccc(-c3ccncc3)nc2n1-c1ccc(CN2[C@@H]3COC[C@H]2CC(=O)C3)cc1
InChIInChI=1S/C26H25N5O2/c1-17-28-25-7-6-24(19-8-10-27-11-9-19)29-26(25)31(17)20-4-2-18(3-5-20)14-30-21-12-23(32)13-22(30)16-33-15-21/h2-11,21-22H,12-16H2,1H3/t21-,22+
InChIKeyXSANFEGPMSOVBP-SZPZYZBQSA-N
MW439.52 g/mol
LogP3.72
Rot. Bonds4

About (1S,5R)-9-[[4-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)phenyl]methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-one

(1S,5R)-9-[[4-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)phenyl]methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-one (PubChem CID 146315914) has the molecular formula C26H25N5O2 and a molecular weight of 439.52 g/mol. Its IUPAC name is (1S,5R)-9-[[4-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)phenyl]methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-one.

Molecular Properties

Compound Name(1S,5R)-9-[[4-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)phenyl]methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-one
PubChem CID146315914
Molecular FormulaC26H25N5O2
Molecular Weight439.52 g/mol
Exact Mass439.20
IUPAC Name(1S,5R)-9-[[4-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)phenyl]methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-one
SMILESCc1nc2ccc(-c3ccncc3)nc2n1-c1ccc(CN2[C@@H]3COC[C@H]2CC(=O)C3)cc1
InChIInChI=1S/C26H25N5O2/c1-17-28-25-7-6-24(19-8-10-27-11-9-19)29-26(25)31(17)20-4-2-18(3-5-20)14-30-21-12-23(32)13-22(30)16-33-15-21/h2-11,21-22H,12-16H2,1H3/t21-,22+
InChIKeyXSANFEGPMSOVBP-SZPZYZBQSA-N
XLogP3.72
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (1S,5R)-9-[[4-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)phenyl]methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-9-[[4-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)phenyl]methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-one?
The IUPAC name of (1S,5R)-9-[[4-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)phenyl]methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-one (CID 146315914) is (1S,5R)-9-[[4-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)phenyl]methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-one.
What is the SMILES notation for (1S,5R)-9-[[4-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)phenyl]methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-one?
The canonical SMILES for (1S,5R)-9-[[4-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)phenyl]methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-one is Cc1nc2ccc(-c3ccncc3)nc2n1-c1ccc(CN2[C@@H]3COC[C@H]2CC(=O)C3)cc1.
What is the InChIKey of (1S,5R)-9-[[4-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)phenyl]methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-one?
The InChIKey is XSANFEGPMSOVBP-SZPZYZBQSA-N. The full InChI is InChI=1S/C26H25N5O2/c1-17-28-25-7-6-24(19-8-10-27-11-9-19)29-26(25)31(17)20-4-2-18(3-5-20)14-30-21-12-23(32)13-22(30)16-33-15-21/h2-11,21-22H,12-16H2,1H3/t21-,22+.
What are the key properties of (1S,5R)-9-[[4-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)phenyl]methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-one?
(1S,5R)-9-[[4-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)phenyl]methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-one has a molecular weight of 439.52 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-9-[[4-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)phenyl]methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-one is sourced from PubChem (CID 146315914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).