[3-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]methanone

C15H21N3O3 — CID 131696202

IUPAC[3-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]methanone
SMILESCOCc1nn(C)c2c1CN(C(=O)C1[C@H]3COC[C@@H]13)CC2
InChIInChI=1S/C15H21N3O3/c1-17-13-3-4-18(5-9(13)12(16-17)8-20-2)15(19)14-10-6-21-7-11(10)14/h10-11,14H,3-8H2,1-2H3/t10-,11+,14?
InChIKeyVIFMDYCQRWAHDO-BVUQATHDSA-N
MW291.35 g/mol
LogP0.34
Rot. Bonds3

About [3-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]methanone

[3-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]methanone (PubChem CID 131696202) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is [3-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]methanone.

Molecular Properties

Compound Name[3-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]methanone
PubChem CID131696202
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name[3-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]methanone
SMILESCOCc1nn(C)c2c1CN(C(=O)C1[C@H]3COC[C@@H]13)CC2
InChIInChI=1S/C15H21N3O3/c1-17-13-3-4-18(5-9(13)12(16-17)8-20-2)15(19)14-10-6-21-7-11(10)14/h10-11,14H,3-8H2,1-2H3/t10-,11+,14?
InChIKeyVIFMDYCQRWAHDO-BVUQATHDSA-N
XLogP0.34
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]methanone?
The IUPAC name of [3-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]methanone (CID 131696202) is [3-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]methanone.
What is the SMILES notation for [3-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]methanone?
The canonical SMILES for [3-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]methanone is COCc1nn(C)c2c1CN(C(=O)C1[C@H]3COC[C@@H]13)CC2.
What is the InChIKey of [3-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]methanone?
The InChIKey is VIFMDYCQRWAHDO-BVUQATHDSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-17-13-3-4-18(5-9(13)12(16-17)8-20-2)15(19)14-10-6-21-7-11(10)14/h10-11,14H,3-8H2,1-2H3/t10-,11+,14?.
What are the key properties of [3-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]methanone?
[3-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]methanone has a molecular weight of 291.35 g/mol, XLogP of 0.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]methanone is sourced from PubChem (CID 131696202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).