N,N,1-trimethyl-6-[(5-methylthiophen-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxamide

C16H22N4OS — CID 97461922

IUPACN,N,1-trimethyl-6-[(5-methylthiophen-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCc1ccc(CN2CCc3c(C(=O)N(C)C)nn(C)c3C2)s1
InChIInChI=1S/C16H22N4OS/c1-11-5-6-12(22-11)9-20-8-7-13-14(10-20)19(4)17-15(13)16(21)18(2)3/h5-6H,7-10H2,1-4H3
InChIKeyYGTCULLIJKXUPM-UHFFFAOYSA-N
MW318.45 g/mol
LogP2.05
Rot. Bonds3

About N,N,1-trimethyl-6-[(5-methylthiophen-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxamide

N,N,1-trimethyl-6-[(5-methylthiophen-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 97461922) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is N,N,1-trimethyl-6-[(5-methylthiophen-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN,N,1-trimethyl-6-[(5-methylthiophen-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID97461922
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC NameN,N,1-trimethyl-6-[(5-methylthiophen-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCc1ccc(CN2CCc3c(C(=O)N(C)C)nn(C)c3C2)s1
InChIInChI=1S/C16H22N4OS/c1-11-5-6-12(22-11)9-20-8-7-13-14(10-20)19(4)17-15(13)16(21)18(2)3/h5-6H,7-10H2,1-4H3
InChIKeyYGTCULLIJKXUPM-UHFFFAOYSA-N
XLogP2.05
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,N,1-trimethyl-6-[(5-methylthiophen-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Cyclopentyl-3-ethyl-6-thiophen-2-yl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
CID 10710468
1-Cyclopentyl-3-ethyl-6-thiophen-3-yl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
CID 10734134
{1-[(1-isopropyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl}(3-methyl-2-thienyl)methanone
CID 16190092
1-methyl-3-[(4-phenyl-3,6-dihydropyridin-1(2H)-yl)carbonyl]-4,5-dihydro-1H-thieno[2,3-g]indazole
CID 20948571
US9598423, Example 121
CID 118069228
US9776991, Example 99
CID 139208213
(4,5-dimethylthiophen-2-yl){4-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]piperazin-1-yl}methanone
CID 19585599
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 29650123
2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 42285750
N6-[(4-Fluorophenyl)methyl]-5,6-dimethyl-4-oxo-N2-[(thiophen-2-YL)methyl]-4H,5H,6H,7H-pyrazolo[1,5-A]pyrazine-2,6-dicarboxamide
CID 46278956
N6-[(4-Fluorophenyl)methyl]-5,6-dimethyl-4-oxo-N2-[2-(thiophen-2-YL)ethyl]-4H,5H,6H,7H-pyrazolo[1,5-A]pyrazine-2,6-dicarboxamide
CID 46278976
1-methyl-5,5-dioxo-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carboxamide
CID 52095471

Frequently Asked Questions

What is the IUPAC name of N,N,1-trimethyl-6-[(5-methylthiophen-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxamide?
The IUPAC name of N,N,1-trimethyl-6-[(5-methylthiophen-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxamide (CID 97461922) is N,N,1-trimethyl-6-[(5-methylthiophen-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxamide.
What is the SMILES notation for N,N,1-trimethyl-6-[(5-methylthiophen-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxamide?
The canonical SMILES for N,N,1-trimethyl-6-[(5-methylthiophen-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxamide is Cc1ccc(CN2CCc3c(C(=O)N(C)C)nn(C)c3C2)s1.
What is the InChIKey of N,N,1-trimethyl-6-[(5-methylthiophen-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is YGTCULLIJKXUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS/c1-11-5-6-12(22-11)9-20-8-7-13-14(10-20)19(4)17-15(13)16(21)18(2)3/h5-6H,7-10H2,1-4H3.
What are the key properties of N,N,1-trimethyl-6-[(5-methylthiophen-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxamide?
N,N,1-trimethyl-6-[(5-methylthiophen-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 318.45 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,1-trimethyl-6-[(5-methylthiophen-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 97461922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).