2-[3-[3-(2-hydroxyphenyl)-7H-pyrrolo[2,3-c]pyridazin-5-yl]azetidin-1-yl]-N,N-dimethylacetamide

C19H21N5O2 — CID 163374336

IUPAC2-[3-[3-(2-hydroxyphenyl)-7H-pyrrolo[2,3-c]pyridazin-5-yl]azetidin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CC(c2c[nH]c3nnc(-c4ccccc4O)cc23)C1
InChIInChI=1S/C19H21N5O2/c1-23(2)18(26)11-24-9-12(10-24)15-8-20-19-14(15)7-16(21-22-19)13-5-3-4-6-17(13)25/h3-8,12,25H,9-11H2,1-2H3,(H,20,22)
InChIKeyIGHDRSQIMHTOKR-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.82
Rot. Bonds4

About 2-[3-[3-(2-hydroxyphenyl)-7H-pyrrolo[2,3-c]pyridazin-5-yl]azetidin-1-yl]-N,N-dimethylacetamide

2-[3-[3-(2-hydroxyphenyl)-7H-pyrrolo[2,3-c]pyridazin-5-yl]azetidin-1-yl]-N,N-dimethylacetamide (PubChem CID 163374336) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-[3-[3-(2-hydroxyphenyl)-7H-pyrrolo[2,3-c]pyridazin-5-yl]azetidin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[3-[3-(2-hydroxyphenyl)-7H-pyrrolo[2,3-c]pyridazin-5-yl]azetidin-1-yl]-N,N-dimethylacetamide
PubChem CID163374336
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name2-[3-[3-(2-hydroxyphenyl)-7H-pyrrolo[2,3-c]pyridazin-5-yl]azetidin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CC(c2c[nH]c3nnc(-c4ccccc4O)cc23)C1
InChIInChI=1S/C19H21N5O2/c1-23(2)18(26)11-24-9-12(10-24)15-8-20-19-14(15)7-16(21-22-19)13-5-3-4-6-17(13)25/h3-8,12,25H,9-11H2,1-2H3,(H,20,22)
InChIKeyIGHDRSQIMHTOKR-UHFFFAOYSA-N
XLogP1.82
TPSA85.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(2-hydroxyphenyl)-7H-pyrrolo[2,3-c]pyridazin-5-yl]azetidin-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[3-[3-(2-hydroxyphenyl)-7H-pyrrolo[2,3-c]pyridazin-5-yl]azetidin-1-yl]-N,N-dimethylacetamide (CID 163374336) is 2-[3-[3-(2-hydroxyphenyl)-7H-pyrrolo[2,3-c]pyridazin-5-yl]azetidin-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[3-[3-(2-hydroxyphenyl)-7H-pyrrolo[2,3-c]pyridazin-5-yl]azetidin-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[3-[3-(2-hydroxyphenyl)-7H-pyrrolo[2,3-c]pyridazin-5-yl]azetidin-1-yl]-N,N-dimethylacetamide is CN(C)C(=O)CN1CC(c2c[nH]c3nnc(-c4ccccc4O)cc23)C1.
What is the InChIKey of 2-[3-[3-(2-hydroxyphenyl)-7H-pyrrolo[2,3-c]pyridazin-5-yl]azetidin-1-yl]-N,N-dimethylacetamide?
The InChIKey is IGHDRSQIMHTOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-23(2)18(26)11-24-9-12(10-24)15-8-20-19-14(15)7-16(21-22-19)13-5-3-4-6-17(13)25/h3-8,12,25H,9-11H2,1-2H3,(H,20,22).
What are the key properties of 2-[3-[3-(2-hydroxyphenyl)-7H-pyrrolo[2,3-c]pyridazin-5-yl]azetidin-1-yl]-N,N-dimethylacetamide?
2-[3-[3-(2-hydroxyphenyl)-7H-pyrrolo[2,3-c]pyridazin-5-yl]azetidin-1-yl]-N,N-dimethylacetamide has a molecular weight of 351.41 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(2-hydroxyphenyl)-7H-pyrrolo[2,3-c]pyridazin-5-yl]azetidin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 163374336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).