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

C15H22N4OS — CID 134072132

IUPAC5-[[2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]-4-methyl-1,3-thiazole
SMILESCCn1cc2c(n1)C(COC)CN(Cc1scnc1C)C2
InChIInChI=1S/C15H22N4OS/c1-4-19-7-12-5-18(8-14-11(2)16-10-21-14)6-13(9-20-3)15(12)17-19/h7,10,13H,4-6,8-9H2,1-3H3
InChIKeyUSCKOJZIONRGRC-UHFFFAOYSA-N
MW306.44 g/mol
LogP2.41
Rot. Bonds5

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

5-[[2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]-4-methyl-1,3-thiazole (PubChem CID 134072132) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is 5-[[2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[[2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]-4-methyl-1,3-thiazole
PubChem CID134072132
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC Name5-[[2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]-4-methyl-1,3-thiazole
SMILESCCn1cc2c(n1)C(COC)CN(Cc1scnc1C)C2
InChIInChI=1S/C15H22N4OS/c1-4-19-7-12-5-18(8-14-11(2)16-10-21-14)6-13(9-20-3)15(12)17-19/h7,10,13H,4-6,8-9H2,1-3H3
InChIKeyUSCKOJZIONRGRC-UHFFFAOYSA-N
XLogP2.41
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

(7S)-2-ethyl-7-(methoxymethyl)-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 97382539
2-ethyl-7-(methoxymethyl)-5-[(1-methylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 131663852
(7R)-2-ethyl-5-(furan-2-ylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 97382520
2-[[2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)
CID 155828623
(7S)-2-ethyl-7-(methoxymethyl)-5-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 97382547
5-[[4-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-4-methyl-1,3-thiazole
CID 131658022
4-[[(7R)-7-(ethoxymethyl)-2-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 97468209
(7S)-7-(ethoxymethyl)-2-ethyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 97382559
7-(ethoxymethyl)-2-ethyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 131655593
7-(ethoxymethyl)-2-ethyl-5-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 131655634
7-(ethoxymethyl)-2-ethyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 131640660
5-[[5-(methoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methyl]-4-methyl-1,3-thiazole
CID 131646474

Frequently Asked Questions

What is the IUPAC name of 5-[[2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]-4-methyl-1,3-thiazole?
The IUPAC name of 5-[[2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]-4-methyl-1,3-thiazole (CID 134072132) is 5-[[2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 5-[[2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 5-[[2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]-4-methyl-1,3-thiazole is CCn1cc2c(n1)C(COC)CN(Cc1scnc1C)C2.
What is the InChIKey of 5-[[2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]-4-methyl-1,3-thiazole?
The InChIKey is USCKOJZIONRGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-4-19-7-12-5-18(8-14-11(2)16-10-21-14)6-13(9-20-3)15(12)17-19/h7,10,13H,4-6,8-9H2,1-3H3.
What are the key properties of 5-[[2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]-4-methyl-1,3-thiazole?
5-[[2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]-4-methyl-1,3-thiazole has a molecular weight of 306.44 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 134072132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).