6-[[3-[1-(dimethylamino)ethyl]phenyl]methyl]-2-(2-hydroxyethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one

C19H28N4O2 — CID 77093206

IUPAC6-[[3-[1-(dimethylamino)ethyl]phenyl]methyl]-2-(2-hydroxyethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
SMILESCC(c1cccc(CN2CCc3c([nH]n(CCO)c3=O)C2)c1)N(C)C
InChIInChI=1S/C19H28N4O2/c1-14(21(2)3)16-6-4-5-15(11-16)12-22-8-7-17-18(13-22)20-23(9-10-24)19(17)25/h4-6,11,14,20,24H,7-10,12-13H2,1-3H3
InChIKeyZOVHEDTZFVREHZ-UHFFFAOYSA-N
MW344.46 g/mol
LogP1.35
Rot. Bonds6

About 6-[[3-[1-(dimethylamino)ethyl]phenyl]methyl]-2-(2-hydroxyethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one

6-[[3-[1-(dimethylamino)ethyl]phenyl]methyl]-2-(2-hydroxyethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one (PubChem CID 77093206) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 6-[[3-[1-(dimethylamino)ethyl]phenyl]methyl]-2-(2-hydroxyethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name6-[[3-[1-(dimethylamino)ethyl]phenyl]methyl]-2-(2-hydroxyethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
PubChem CID77093206
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name6-[[3-[1-(dimethylamino)ethyl]phenyl]methyl]-2-(2-hydroxyethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
SMILESCC(c1cccc(CN2CCc3c([nH]n(CCO)c3=O)C2)c1)N(C)C
InChIInChI=1S/C19H28N4O2/c1-14(21(2)3)16-6-4-5-15(11-16)12-22-8-7-17-18(13-22)20-23(9-10-24)19(17)25/h4-6,11,14,20,24H,7-10,12-13H2,1-3H3
InChIKeyZOVHEDTZFVREHZ-UHFFFAOYSA-N
XLogP1.35
TPSA64.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[[3-[1-(dimethylamino)ethyl]phenyl]methyl]-2-(2-hydroxyethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one with MolForge

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Related Compounds

6-[(3-chlorophenyl)methyl]-2-(2-methoxyethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
CID 67372988
2,6-dibenzyl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
CID 67373232
6-[(4-chlorophenyl)methyl]-2-[(3-methoxyphenyl)methyl]-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
CID 67374450
2-(2-hydroxyethyl)-5-[(4-methoxyphenyl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one
CID 67372261
6-[(3-chlorophenyl)methyl]-2-(pyridin-4-ylmethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
CID 67375792
2-benzyl-6-[(4-chlorophenyl)methyl]-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
CID 67375523
2-(2-benzyl-3-oxo-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)-N-methylacetamide
CID 67356813
2-(4-chlorophenyl)-6-[(3-chlorophenyl)methyl]-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
CID 67371266
2-[3-(piperidin-1-ylmethyl)phenyl]propan-1-ol
CID 117339044
2-[3-(pyrrolidin-1-ylmethyl)phenyl]propan-1-ol
CID 117313419
9-[[3-[(1S)-1-(dimethylamino)ethyl]phenyl]methyl]-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97139012
2-(1,3-benzodioxol-5-yl)-6-[(3-chlorophenyl)methyl]-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
CID 53373505

Frequently Asked Questions

What is the IUPAC name of 6-[[3-[1-(dimethylamino)ethyl]phenyl]methyl]-2-(2-hydroxyethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one?
The IUPAC name of 6-[[3-[1-(dimethylamino)ethyl]phenyl]methyl]-2-(2-hydroxyethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one (CID 77093206) is 6-[[3-[1-(dimethylamino)ethyl]phenyl]methyl]-2-(2-hydroxyethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one.
What is the SMILES notation for 6-[[3-[1-(dimethylamino)ethyl]phenyl]methyl]-2-(2-hydroxyethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one?
The canonical SMILES for 6-[[3-[1-(dimethylamino)ethyl]phenyl]methyl]-2-(2-hydroxyethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one is CC(c1cccc(CN2CCc3c([nH]n(CCO)c3=O)C2)c1)N(C)C.
What is the InChIKey of 6-[[3-[1-(dimethylamino)ethyl]phenyl]methyl]-2-(2-hydroxyethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one?
The InChIKey is ZOVHEDTZFVREHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-14(21(2)3)16-6-4-5-15(11-16)12-22-8-7-17-18(13-22)20-23(9-10-24)19(17)25/h4-6,11,14,20,24H,7-10,12-13H2,1-3H3.
What are the key properties of 6-[[3-[1-(dimethylamino)ethyl]phenyl]methyl]-2-(2-hydroxyethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one?
6-[[3-[1-(dimethylamino)ethyl]phenyl]methyl]-2-(2-hydroxyethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one has a molecular weight of 344.46 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-[1-(dimethylamino)ethyl]phenyl]methyl]-2-(2-hydroxyethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one is sourced from PubChem (CID 77093206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).