[1-ethyl-5-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol

C17H24N4OS — CID 77088790

IUPAC[1-ethyl-5-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol
SMILESCCn1nc(CO)c2c1CCN(Cc1nc3c(s1)CCCC3)C2
InChIInChI=1S/C17H24N4OS/c1-2-21-15-7-8-20(9-12(15)14(11-22)19-21)10-17-18-13-5-3-4-6-16(13)23-17/h22H,2-11H2,1H3
InChIKeyHGOPHKDCVQPIQR-UHFFFAOYSA-N
MW332.47 g/mol
LogP2.29
Rot. Bonds4

About [1-ethyl-5-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol

[1-ethyl-5-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol (PubChem CID 77088790) has the molecular formula C17H24N4OS and a molecular weight of 332.47 g/mol. Its IUPAC name is [1-ethyl-5-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol.

Molecular Properties

Compound Name[1-ethyl-5-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol
PubChem CID77088790
Molecular FormulaC17H24N4OS
Molecular Weight332.47 g/mol
Exact Mass332.17
IUPAC Name[1-ethyl-5-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol
SMILESCCn1nc(CO)c2c1CCN(Cc1nc3c(s1)CCCC3)C2
InChIInChI=1S/C17H24N4OS/c1-2-21-15-7-8-20(9-12(15)14(11-22)19-21)10-17-18-13-5-3-4-6-16(13)23-17/h22H,2-11H2,1H3
InChIKeyHGOPHKDCVQPIQR-UHFFFAOYSA-N
XLogP2.29
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [1-ethyl-5-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol with MolForge

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Related Compounds

{1-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}methanol
CID 91831774
(1-ethyl-5-{[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl}-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)methanol
CID 129618193
{1-ethyl-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}methanol
CID 91895526
piperidin-1-yl-[1-propyl-5-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol
CID 146641567
dimethylamino-[1-propyl-5-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol
CID 169616962
(1-ethyl-5-{[(4-methyl-1,3-thiazol-2-yl)thio]acetyl}-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)methanol
CID 77095382
2-(Dimethylamino)-1-{5-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl}ethanol
CID 91764592
{5-[(2,5-Dimethyl-1,3-thiazol-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl}methanol
CID 91788623
{5-[(2,5-dimethyl-1,3-thiazol-4-yl)acetyl]-1-ethyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}methanol
CID 91835557
(1S)-2-(dimethylamino)-1-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol
CID 100023630
(1R)-2-(dimethylamino)-1-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol
CID 100023633
2-[4-[[(2-Ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)-methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
CID 109935924

Frequently Asked Questions

What is the IUPAC name of [1-ethyl-5-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol?
The IUPAC name of [1-ethyl-5-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol (CID 77088790) is [1-ethyl-5-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol.
What is the SMILES notation for [1-ethyl-5-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol?
The canonical SMILES for [1-ethyl-5-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol is CCn1nc(CO)c2c1CCN(Cc1nc3c(s1)CCCC3)C2.
What is the InChIKey of [1-ethyl-5-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol?
The InChIKey is HGOPHKDCVQPIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4OS/c1-2-21-15-7-8-20(9-12(15)14(11-22)19-21)10-17-18-13-5-3-4-6-16(13)23-17/h22H,2-11H2,1H3.
What are the key properties of [1-ethyl-5-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol?
[1-ethyl-5-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol has a molecular weight of 332.47 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethyl-5-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol is sourced from PubChem (CID 77088790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).