2-[3-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-N-(1-methylpyrazol-3-yl)acetamide

C14H20N6O2 — CID 91836314

IUPAC2-[3-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-N-(1-methylpyrazol-3-yl)acetamide
SMILESCn1ccc(NC(=O)CN2CCc3c(c(CO)nn3C)C2)n1
InChIInChI=1S/C14H20N6O2/c1-18-5-4-13(17-18)15-14(22)8-20-6-3-12-10(7-20)11(9-21)16-19(12)2/h4-5,21H,3,6-9H2,1-2H3,(H,15,17,22)
InChIKeyKNMCQADPSJSAII-UHFFFAOYSA-N
MW304.35 g/mol
LogP-0.36
Rot. Bonds4

About 2-[3-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-N-(1-methylpyrazol-3-yl)acetamide

2-[3-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-N-(1-methylpyrazol-3-yl)acetamide (PubChem CID 91836314) has the molecular formula C14H20N6O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-[3-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-N-(1-methylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[3-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-N-(1-methylpyrazol-3-yl)acetamide
PubChem CID91836314
Molecular FormulaC14H20N6O2
Molecular Weight304.35 g/mol
Exact Mass304.16
IUPAC Name2-[3-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-N-(1-methylpyrazol-3-yl)acetamide
SMILESCn1ccc(NC(=O)CN2CCc3c(c(CO)nn3C)C2)n1
InChIInChI=1S/C14H20N6O2/c1-18-5-4-13(17-18)15-14(22)8-20-6-3-12-10(7-20)11(9-21)16-19(12)2/h4-5,21H,3,6-9H2,1-2H3,(H,15,17,22)
InChIKeyKNMCQADPSJSAII-UHFFFAOYSA-N
XLogP-0.36
TPSA88.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[3-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-N-(1-methylpyrazol-3-yl)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-N-(1-methylpyrazol-3-yl)acetamide?
The IUPAC name of 2-[3-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-N-(1-methylpyrazol-3-yl)acetamide (CID 91836314) is 2-[3-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-N-(1-methylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[3-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-N-(1-methylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-[3-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-N-(1-methylpyrazol-3-yl)acetamide is Cn1ccc(NC(=O)CN2CCc3c(c(CO)nn3C)C2)n1.
What is the InChIKey of 2-[3-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-N-(1-methylpyrazol-3-yl)acetamide?
The InChIKey is KNMCQADPSJSAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O2/c1-18-5-4-13(17-18)15-14(22)8-20-6-3-12-10(7-20)11(9-21)16-19(12)2/h4-5,21H,3,6-9H2,1-2H3,(H,15,17,22).
What are the key properties of 2-[3-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-N-(1-methylpyrazol-3-yl)acetamide?
2-[3-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-N-(1-methylpyrazol-3-yl)acetamide has a molecular weight of 304.35 g/mol, XLogP of -0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-N-(1-methylpyrazol-3-yl)acetamide is sourced from PubChem (CID 91836314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).