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

C16H22N4OS — CID 118739801

IUPAC2-[[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methyl]-1,3-thiazole
SMILESCn1ncc2c1C(COCC1CC1)CN(Cc1nccs1)C2
InChIInChI=1S/C16H22N4OS/c1-19-16-13(6-18-19)7-20(9-15-17-4-5-22-15)8-14(16)11-21-10-12-2-3-12/h4-6,12,14H,2-3,7-11H2,1H3
InChIKeyBOQXRTDAUAURIL-UHFFFAOYSA-N
MW318.45 g/mol
LogP2.40
Rot. Bonds6

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

2-[[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methyl]-1,3-thiazole (PubChem CID 118739801) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is 2-[[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methyl]-1,3-thiazole
PubChem CID118739801
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC Name2-[[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methyl]-1,3-thiazole
SMILESCn1ncc2c1C(COCC1CC1)CN(Cc1nccs1)C2
InChIInChI=1S/C16H22N4OS/c1-19-16-13(6-18-19)7-20(9-15-17-4-5-22-15)8-14(16)11-21-10-12-2-3-12/h4-6,12,14H,2-3,7-11H2,1H3
InChIKeyBOQXRTDAUAURIL-UHFFFAOYSA-N
XLogP2.40
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[1-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methyl]-1,3-thiazole
CID 118739275
(7S)-5-(cyclopropylmethyl)-7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine
CID 97382684
2-[[(4S)-4-(cyclopropylmethoxymethyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methyl]-1,3-thiazole
CID 97383065
7-(cyclopropylmethoxymethyl)-5-(furan-3-ylmethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 155861331
(7S)-7-(ethoxymethyl)-1-methyl-5-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine
CID 97382737
2-[[(7S)-7-(cyclopropylmethoxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methyl]-1,3-thiazole
CID 97463509
(7S)-7-(methoxymethyl)-1-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine
CID 97382646
7-(cyclopropylmethoxymethyl)-5-[(3-methoxyphenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine;2,2,2-trifluoroacetic acid
CID 171694574
7-(cyclopropylmethoxymethyl)-5-[(3-methoxyphenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 155841987
7-(cyclopropylmethoxymethyl)-1-(cyclopropylmethyl)-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine
CID 131657011
2-[[(7S)-1-methyl-7-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methyl]-1,3-thiazole
CID 97383406
2-[[(7S)-1-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methyl]-1,3-thiazole
CID 97383527

Frequently Asked Questions

What is the IUPAC name of 2-[[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-[[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methyl]-1,3-thiazole (CID 118739801) is 2-[[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-[[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-[[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methyl]-1,3-thiazole is Cn1ncc2c1C(COCC1CC1)CN(Cc1nccs1)C2.
What is the InChIKey of 2-[[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methyl]-1,3-thiazole?
The InChIKey is BOQXRTDAUAURIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS/c1-19-16-13(6-18-19)7-20(9-15-17-4-5-22-15)8-14(16)11-21-10-12-2-3-12/h4-6,12,14H,2-3,7-11H2,1H3.
What are the key properties of 2-[[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methyl]-1,3-thiazole?
2-[[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methyl]-1,3-thiazole has a molecular weight of 318.45 g/mol, XLogP of 2.40, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 118739801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).