2-[[7-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-4-methyl-1,3-thiazole

C14H20N4OS — CID 131659942

IUPAC2-[[7-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-4-methyl-1,3-thiazole
SMILESCOCC1c2c(cnn2C)CCN1Cc1nc(C)cs1
InChIInChI=1S/C14H20N4OS/c1-10-9-20-13(16-10)7-18-5-4-11-6-15-17(2)14(11)12(18)8-19-3/h6,9,12H,4-5,7-8H2,1-3H3
InChIKeyQGWROGMMRNIMPP-UHFFFAOYSA-N
MW292.41 g/mol
LogP1.93
Rot. Bonds4

About 2-[[7-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-4-methyl-1,3-thiazole

2-[[7-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-4-methyl-1,3-thiazole (PubChem CID 131659942) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 2-[[7-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[[7-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-4-methyl-1,3-thiazole
PubChem CID131659942
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name2-[[7-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-4-methyl-1,3-thiazole
SMILESCOCC1c2c(cnn2C)CCN1Cc1nc(C)cs1
InChIInChI=1S/C14H20N4OS/c1-10-9-20-13(16-10)7-18-5-4-11-6-15-17(2)14(11)12(18)8-19-3/h6,9,12H,4-5,7-8H2,1-3H3
InChIKeyQGWROGMMRNIMPP-UHFFFAOYSA-N
XLogP1.93
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[7-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-4-methyl-1,3-thiazole?
The IUPAC name of 2-[[7-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-4-methyl-1,3-thiazole (CID 131659942) is 2-[[7-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-[[7-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 2-[[7-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-4-methyl-1,3-thiazole is COCC1c2c(cnn2C)CCN1Cc1nc(C)cs1.
What is the InChIKey of 2-[[7-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-4-methyl-1,3-thiazole?
The InChIKey is QGWROGMMRNIMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-10-9-20-13(16-10)7-18-5-4-11-6-15-17(2)14(11)12(18)8-19-3/h6,9,12H,4-5,7-8H2,1-3H3.
What are the key properties of 2-[[7-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-4-methyl-1,3-thiazole?
2-[[7-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-4-methyl-1,3-thiazole has a molecular weight of 292.41 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 131659942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).