[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-(1-methylpyrazolo[4,5-b]pyridin-6-yl)methanone

C16H21N5O2 — CID 163310602

IUPAC[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-(1-methylpyrazolo[4,5-b]pyridin-6-yl)methanone
SMILESCN1C[C@H]2COC[C@@H]1CN(C(=O)c1cnc3cnn(C)c3c1)C2
InChIInChI=1S/C16H21N5O2/c1-19-6-11-7-21(8-13(19)10-23-9-11)16(22)12-3-15-14(17-4-12)5-18-20(15)2/h3-5,11,13H,6-10H2,1-2H3/t11-,13+/m1/s1
InChIKeyYKYIYAKDMNGZHR-YPMHNXCESA-N
MW315.38 g/mol
LogP0.37
Rot. Bonds1

About [(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-(1-methylpyrazolo[4,5-b]pyridin-6-yl)methanone

[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-(1-methylpyrazolo[4,5-b]pyridin-6-yl)methanone (PubChem CID 163310602) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is [(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-(1-methylpyrazolo[4,5-b]pyridin-6-yl)methanone.

Molecular Properties

Compound Name[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-(1-methylpyrazolo[4,5-b]pyridin-6-yl)methanone
PubChem CID163310602
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-(1-methylpyrazolo[4,5-b]pyridin-6-yl)methanone
SMILESCN1C[C@H]2COC[C@@H]1CN(C(=O)c1cnc3cnn(C)c3c1)C2
InChIInChI=1S/C16H21N5O2/c1-19-6-11-7-21(8-13(19)10-23-9-11)16(22)12-3-15-14(17-4-12)5-18-20(15)2/h3-5,11,13H,6-10H2,1-2H3/t11-,13+/m1/s1
InChIKeyYKYIYAKDMNGZHR-YPMHNXCESA-N
XLogP0.37
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-(1-methylpyrazolo[4,5-b]pyridin-6-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-(1-methylpyrazolo[4,5-b]pyridin-6-yl)methanone?
The IUPAC name of [(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-(1-methylpyrazolo[4,5-b]pyridin-6-yl)methanone (CID 163310602) is [(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-(1-methylpyrazolo[4,5-b]pyridin-6-yl)methanone.
What is the SMILES notation for [(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-(1-methylpyrazolo[4,5-b]pyridin-6-yl)methanone?
The canonical SMILES for [(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-(1-methylpyrazolo[4,5-b]pyridin-6-yl)methanone is CN1C[C@H]2COC[C@@H]1CN(C(=O)c1cnc3cnn(C)c3c1)C2.
What is the InChIKey of [(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-(1-methylpyrazolo[4,5-b]pyridin-6-yl)methanone?
The InChIKey is YKYIYAKDMNGZHR-YPMHNXCESA-N. The full InChI is InChI=1S/C16H21N5O2/c1-19-6-11-7-21(8-13(19)10-23-9-11)16(22)12-3-15-14(17-4-12)5-18-20(15)2/h3-5,11,13H,6-10H2,1-2H3/t11-,13+/m1/s1.
What are the key properties of [(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-(1-methylpyrazolo[4,5-b]pyridin-6-yl)methanone?
[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-(1-methylpyrazolo[4,5-b]pyridin-6-yl)methanone has a molecular weight of 315.38 g/mol, XLogP of 0.37, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-(1-methylpyrazolo[4,5-b]pyridin-6-yl)methanone is sourced from PubChem (CID 163310602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).