5-[2-[2-(dimethylamino)ethoxy]-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]-4-(trifluoromethyl)-4H-pyridazin-3-one

C16H18F3N5O2 — CID 154825994

IUPAC5-[2-[2-(dimethylamino)ethoxy]-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]-4-(trifluoromethyl)-4H-pyridazin-3-one
SMILESCN(C)CCOc1ccc2c(n1)CN(C1=CN=NC(=O)C1C(F)(F)F)C2
InChIInChI=1S/C16H18F3N5O2/c1-23(2)5-6-26-13-4-3-10-8-24(9-11(10)21-13)12-7-20-22-15(25)14(12)16(17,18)19/h3-4,7,14H,5-6,8-9H2,1-2H3
InChIKeyGYDAKXQHHCMXCZ-UHFFFAOYSA-N
MW369.35 g/mol
LogP2.35
Rot. Bonds5

About 5-[2-[2-(dimethylamino)ethoxy]-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]-4-(trifluoromethyl)-4H-pyridazin-3-one

5-[2-[2-(dimethylamino)ethoxy]-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]-4-(trifluoromethyl)-4H-pyridazin-3-one (PubChem CID 154825994) has the molecular formula C16H18F3N5O2 and a molecular weight of 369.35 g/mol. Its IUPAC name is 5-[2-[2-(dimethylamino)ethoxy]-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]-4-(trifluoromethyl)-4H-pyridazin-3-one.

Molecular Properties

Compound Name5-[2-[2-(dimethylamino)ethoxy]-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]-4-(trifluoromethyl)-4H-pyridazin-3-one
PubChem CID154825994
Molecular FormulaC16H18F3N5O2
Molecular Weight369.35 g/mol
Exact Mass369.14
IUPAC Name5-[2-[2-(dimethylamino)ethoxy]-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]-4-(trifluoromethyl)-4H-pyridazin-3-one
SMILESCN(C)CCOc1ccc2c(n1)CN(C1=CN=NC(=O)C1C(F)(F)F)C2
InChIInChI=1S/C16H18F3N5O2/c1-23(2)5-6-26-13-4-3-10-8-24(9-11(10)21-13)12-7-20-22-15(25)14(12)16(17,18)19/h3-4,7,14H,5-6,8-9H2,1-2H3
InChIKeyGYDAKXQHHCMXCZ-UHFFFAOYSA-N
XLogP2.35
TPSA70.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(dimethylamino)ethoxy]-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]-4-(trifluoromethyl)-4H-pyridazin-3-one?
The IUPAC name of 5-[2-[2-(dimethylamino)ethoxy]-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]-4-(trifluoromethyl)-4H-pyridazin-3-one (CID 154825994) is 5-[2-[2-(dimethylamino)ethoxy]-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]-4-(trifluoromethyl)-4H-pyridazin-3-one.
What is the SMILES notation for 5-[2-[2-(dimethylamino)ethoxy]-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]-4-(trifluoromethyl)-4H-pyridazin-3-one?
The canonical SMILES for 5-[2-[2-(dimethylamino)ethoxy]-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]-4-(trifluoromethyl)-4H-pyridazin-3-one is CN(C)CCOc1ccc2c(n1)CN(C1=CN=NC(=O)C1C(F)(F)F)C2.
What is the InChIKey of 5-[2-[2-(dimethylamino)ethoxy]-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]-4-(trifluoromethyl)-4H-pyridazin-3-one?
The InChIKey is GYDAKXQHHCMXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N5O2/c1-23(2)5-6-26-13-4-3-10-8-24(9-11(10)21-13)12-7-20-22-15(25)14(12)16(17,18)19/h3-4,7,14H,5-6,8-9H2,1-2H3.
What are the key properties of 5-[2-[2-(dimethylamino)ethoxy]-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]-4-(trifluoromethyl)-4H-pyridazin-3-one?
5-[2-[2-(dimethylamino)ethoxy]-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]-4-(trifluoromethyl)-4H-pyridazin-3-one has a molecular weight of 369.35 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(dimethylamino)ethoxy]-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]-4-(trifluoromethyl)-4H-pyridazin-3-one is sourced from PubChem (CID 154825994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).