[7-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1,3-thiazol-4-yl)methanone

C13H16N4O2S — CID 118744367

IUPAC[7-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1,3-thiazol-4-yl)methanone
SMILESCOCC1c2c(cnn2C)CCN1C(=O)c1cscn1
InChIInChI=1S/C13H16N4O2S/c1-16-12-9(5-15-16)3-4-17(11(12)6-19-2)13(18)10-7-20-8-14-10/h5,7-8,11H,3-4,6H2,1-2H3
InChIKeyCRYWPEIYJPUUCZ-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.26
Rot. Bonds3

About [7-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1,3-thiazol-4-yl)methanone

[7-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 118744367) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is [7-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[7-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID118744367
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name[7-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1,3-thiazol-4-yl)methanone
SMILESCOCC1c2c(cnn2C)CCN1C(=O)c1cscn1
InChIInChI=1S/C13H16N4O2S/c1-16-12-9(5-15-16)3-4-17(11(12)6-19-2)13(18)10-7-20-8-14-10/h5,7-8,11H,3-4,6H2,1-2H3
InChIKeyCRYWPEIYJPUUCZ-UHFFFAOYSA-N
XLogP1.26
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [7-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [7-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1,3-thiazol-4-yl)methanone (CID 118744367) is [7-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [7-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [7-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1,3-thiazol-4-yl)methanone is COCC1c2c(cnn2C)CCN1C(=O)c1cscn1.
What is the InChIKey of [7-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is CRYWPEIYJPUUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-16-12-9(5-15-16)3-4-17(11(12)6-19-2)13(18)10-7-20-8-14-10/h5,7-8,11H,3-4,6H2,1-2H3.
What are the key properties of [7-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1,3-thiazol-4-yl)methanone?
[7-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 292.36 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 118744367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).