N-(oxolan-2-ylmethyl)-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)acetamide

C13H20N4O2 — CID 91829871

IUPACN-(oxolan-2-ylmethyl)-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)acetamide
SMILESO=C(CN1CCc2[nH]ncc2C1)NCC1CCCO1
InChIInChI=1S/C13H20N4O2/c18-13(14-7-11-2-1-5-19-11)9-17-4-3-12-10(8-17)6-15-16-12/h6,11H,1-5,7-9H2,(H,14,18)(H,15,16)
InChIKeyISJYSXVXUNEWIB-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.06
Rot. Bonds4

About N-(oxolan-2-ylmethyl)-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)acetamide

N-(oxolan-2-ylmethyl)-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)acetamide (PubChem CID 91829871) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)acetamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)acetamide
PubChem CID91829871
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC NameN-(oxolan-2-ylmethyl)-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)acetamide
SMILESO=C(CN1CCc2[nH]ncc2C1)NCC1CCCO1
InChIInChI=1S/C13H20N4O2/c18-13(14-7-11-2-1-5-19-11)9-17-4-3-12-10(8-17)6-15-16-12/h6,11H,1-5,7-9H2,(H,14,18)(H,15,16)
InChIKeyISJYSXVXUNEWIB-UHFFFAOYSA-N
XLogP0.06
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(oxolan-2-ylmethyl)-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)acetamide with MolForge

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Related Compounds

5-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 146040992
2-(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 61014916
2-[4-(2-methylphenyl)-3-oxopiperazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 97147655
2-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 124756613
5-[2-(oxan-2-ylmethoxy)ethyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 45241866
2-(4-hydroxypiperidin-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 27070171
2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 91831331
2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 124852044
2-(4-aminopyrazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 92632010
2-[4-(4-hydroxyphenyl)piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 78834128
2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 78835198
2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 16810440

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)acetamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)acetamide (CID 91829871) is N-(oxolan-2-ylmethyl)-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)acetamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)acetamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)acetamide is O=C(CN1CCc2[nH]ncc2C1)NCC1CCCO1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)acetamide?
The InChIKey is ISJYSXVXUNEWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c18-13(14-7-11-2-1-5-19-11)9-17-4-3-12-10(8-17)6-15-16-12/h6,11H,1-5,7-9H2,(H,14,18)(H,15,16).
What are the key properties of N-(oxolan-2-ylmethyl)-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)acetamide?
N-(oxolan-2-ylmethyl)-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)acetamide has a molecular weight of 264.33 g/mol, XLogP of 0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)acetamide is sourced from PubChem (CID 91829871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).