N,N-dimethyl-2-[[1-methyl-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methoxy]ethanamine

C17H27N5OS — CID 97410183

IUPACN,N-dimethyl-2-[[1-methyl-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methoxy]ethanamine
SMILESCc1nc(CN2CCc3c(COCCN(C)C)nn(C)c3C2)cs1
InChIInChI=1S/C17H27N5OS/c1-13-18-14(12-24-13)9-22-6-5-15-16(11-23-8-7-20(2)3)19-21(4)17(15)10-22/h12H,5-11H2,1-4H3
InChIKeyFBLJWRJIMGZHIK-UHFFFAOYSA-N
MW349.50 g/mol
LogP1.82
Rot. Bonds7

About N,N-dimethyl-2-[[1-methyl-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methoxy]ethanamine

N,N-dimethyl-2-[[1-methyl-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methoxy]ethanamine (PubChem CID 97410183) has the molecular formula C17H27N5OS and a molecular weight of 349.50 g/mol. Its IUPAC name is N,N-dimethyl-2-[[1-methyl-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methoxy]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[[1-methyl-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methoxy]ethanamine
PubChem CID97410183
Molecular FormulaC17H27N5OS
Molecular Weight349.50 g/mol
Exact Mass349.19
IUPAC NameN,N-dimethyl-2-[[1-methyl-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methoxy]ethanamine
SMILESCc1nc(CN2CCc3c(COCCN(C)C)nn(C)c3C2)cs1
InChIInChI=1S/C17H27N5OS/c1-13-18-14(12-24-13)9-22-6-5-15-16(11-23-8-7-20(2)3)19-21(4)17(15)10-22/h12H,5-11H2,1-4H3
InChIKeyFBLJWRJIMGZHIK-UHFFFAOYSA-N
XLogP1.82
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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
{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
N,N-dimethyl-2-[[1-propan-2-yl-6-(1,3-thiazol-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methoxy]ethanamine
CID 97413660
2-[1-propan-2-yl-3-(prop-2-enoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-1,3-thiazole
CID 97413661
4-[(2-Cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)morpholine
CID 75471318
{5-[2-(1,3-Thiazol-4-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl}methanol
CID 91778789
{5-[(2,5-Dimethyl-1,3-thiazol-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl}methanol
CID 91788623
(3R)-4-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)morpholine
CID 97332908
(3S)-4-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)morpholine
CID 97332909
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
4-[[(4S)-2-ethyl-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methyl]-2-methyl-1,3-thiazole
CID 97390773
2-[[1-methyl-3-(propan-2-yloxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-1,3-thiazole
CID 97405813

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[1-methyl-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methoxy]ethanamine?
The IUPAC name of N,N-dimethyl-2-[[1-methyl-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methoxy]ethanamine (CID 97410183) is N,N-dimethyl-2-[[1-methyl-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methoxy]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[[1-methyl-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methoxy]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[[1-methyl-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methoxy]ethanamine is Cc1nc(CN2CCc3c(COCCN(C)C)nn(C)c3C2)cs1.
What is the InChIKey of N,N-dimethyl-2-[[1-methyl-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methoxy]ethanamine?
The InChIKey is FBLJWRJIMGZHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5OS/c1-13-18-14(12-24-13)9-22-6-5-15-16(11-23-8-7-20(2)3)19-21(4)17(15)10-22/h12H,5-11H2,1-4H3.
What are the key properties of N,N-dimethyl-2-[[1-methyl-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methoxy]ethanamine?
N,N-dimethyl-2-[[1-methyl-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methoxy]ethanamine has a molecular weight of 349.50 g/mol, XLogP of 1.82, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[1-methyl-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methoxy]ethanamine is sourced from PubChem (CID 97410183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).