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

C14H20N4OS — CID 131648942

IUPAC2-[[7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]-1,3-thiazole
SMILESCCOCC1CN(Cc2nccs2)Cc2cn(C)nc21
InChIInChI=1S/C14H20N4OS/c1-3-19-10-12-8-18(9-13-15-4-5-20-13)7-11-6-17(2)16-14(11)12/h4-6,12H,3,7-10H2,1-2H3
InChIKeyIBRMPFZGLBIZIB-UHFFFAOYSA-N
MW292.41 g/mol
LogP2.01
Rot. Bonds5

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

2-[[7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]-1,3-thiazole (PubChem CID 131648942) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 2-[[7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[[7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]-1,3-thiazole
PubChem CID131648942
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name2-[[7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]-1,3-thiazole
SMILESCCOCC1CN(Cc2nccs2)Cc2cn(C)nc21
InChIInChI=1S/C14H20N4OS/c1-3-19-10-12-8-18(9-13-15-4-5-20-13)7-11-6-17(2)16-14(11)12/h4-6,12H,3,7-10H2,1-2H3
InChIKeyIBRMPFZGLBIZIB-UHFFFAOYSA-N
XLogP2.01
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[3-(methoxymethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-1,3-thiazole
CID 97381637
3-(4-methyl-1H-pyrazol-5-yl)-4-(1,3-thiazol-4-ylmethyl)morpholine
CID 110132411
2-[[1-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methyl]-1,3-thiazole
CID 118739275
2-[[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methyl]-1,3-thiazole
CID 118739801
4-[[7-(cyclopropylmethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]-2-methyl-1,3-thiazole
CID 118740924
[1-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(1,3-thiazol-4-yl)methanone
CID 118741019
2-[[2-(cyclopropylmethyl)-4-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methyl]-1,3-thiazole
CID 118743819
[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(1,3-thiazol-4-yl)methanone
CID 118745124
[7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(1,3-thiazol-4-yl)methanone
CID 118745140
2-[[4-(cyclopropylmethoxymethyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methyl]-1,3-thiazole
CID 118745412
2-[[7-(cyclopropylmethoxymethyl)-1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-1,3-thiazole
CID 118745710
2-[[1-(cyclopropylmethyl)-7-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-1,3-thiazole
CID 118745945

Frequently Asked Questions

What is the IUPAC name of 2-[[7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-[[7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]-1,3-thiazole (CID 131648942) is 2-[[7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-[[7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-[[7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]-1,3-thiazole is CCOCC1CN(Cc2nccs2)Cc2cn(C)nc21.
What is the InChIKey of 2-[[7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]-1,3-thiazole?
The InChIKey is IBRMPFZGLBIZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-3-19-10-12-8-18(9-13-15-4-5-20-13)7-11-6-17(2)16-14(11)12/h4-6,12H,3,7-10H2,1-2H3.
What are the key properties of 2-[[7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]-1,3-thiazole?
2-[[7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]-1,3-thiazole has a molecular weight of 292.41 g/mol, XLogP of 2.01, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 131648942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).