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

C15H22N4OS — CID 97390772

IUPAC4-[[(4R)-2-ethyl-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methyl]-2-methyl-1,3-thiazole
SMILESCCn1cc2c(n1)CN(Cc1csc(C)n1)C[C@@H]2COC
InChIInChI=1S/C15H22N4OS/c1-4-19-7-14-12(9-20-3)5-18(8-15(14)17-19)6-13-10-21-11(2)16-13/h7,10,12H,4-6,8-9H2,1-3H3/t12-/m1/s1
InChIKeyIVOOFHBJGASISH-GFCCVEGCSA-N
MW306.44 g/mol
LogP2.41
Rot. Bonds5

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

4-[[(4R)-2-ethyl-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methyl]-2-methyl-1,3-thiazole (PubChem CID 97390772) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is 4-[[(4R)-2-ethyl-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[[(4R)-2-ethyl-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methyl]-2-methyl-1,3-thiazole
PubChem CID97390772
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC Name4-[[(4R)-2-ethyl-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methyl]-2-methyl-1,3-thiazole
SMILESCCn1cc2c(n1)CN(Cc1csc(C)n1)C[C@@H]2COC
InChIInChI=1S/C15H22N4OS/c1-4-19-7-14-12(9-20-3)5-18(8-15(14)17-19)6-13-10-21-11(2)16-13/h7,10,12H,4-6,8-9H2,1-3H3/t12-/m1/s1
InChIKeyIVOOFHBJGASISH-GFCCVEGCSA-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 4-[[(4R)-2-ethyl-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methyl]-2-methyl-1,3-thiazole with MolForge

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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
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
[1-ethyl-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1,3-thiazol-4-yl)methanone
CID 118745122
[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
4-(methoxymethyl)-2-methyl-6-(thiophen-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine
CID 118745508
2-[[7-(cyclopropylmethoxymethyl)-1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-1,3-thiazole
CID 118745710

Frequently Asked Questions

What is the IUPAC name of 4-[[(4R)-2-ethyl-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[[(4R)-2-ethyl-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methyl]-2-methyl-1,3-thiazole (CID 97390772) is 4-[[(4R)-2-ethyl-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[[(4R)-2-ethyl-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[[(4R)-2-ethyl-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methyl]-2-methyl-1,3-thiazole is CCn1cc2c(n1)CN(Cc1csc(C)n1)C[C@@H]2COC.
What is the InChIKey of 4-[[(4R)-2-ethyl-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methyl]-2-methyl-1,3-thiazole?
The InChIKey is IVOOFHBJGASISH-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-4-19-7-14-12(9-20-3)5-18(8-15(14)17-19)6-13-10-21-11(2)16-13/h7,10,12H,4-6,8-9H2,1-3H3/t12-/m1/s1.
What are the key properties of 4-[[(4R)-2-ethyl-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methyl]-2-methyl-1,3-thiazole?
4-[[(4R)-2-ethyl-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methyl]-2-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 4-[[(4R)-2-ethyl-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 97390772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).