2-[2-ethoxy-4-(5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)phenoxy]-N,N-diethylacetamide

C22H32N4O3 — CID 110532395

IUPAC2-[2-ethoxy-4-(5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)phenoxy]-N,N-diethylacetamide
SMILESCCOc1cc(-c2n[nH]c3c2CN(CC)CC3)ccc1OCC(=O)N(CC)CC
InChIInChI=1S/C22H32N4O3/c1-5-25-12-11-18-17(14-25)22(24-23-18)16-9-10-19(20(13-16)28-8-4)29-15-21(27)26(6-2)7-3/h9-10,13H,5-8,11-12,14-15H2,1-4H3,(H,23,24)
InChIKeyYCQIQEOVRQGJPK-UHFFFAOYSA-N
MW400.52 g/mol
LogP3.10
Rot. Bonds9

About 2-[2-ethoxy-4-(5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)phenoxy]-N,N-diethylacetamide

2-[2-ethoxy-4-(5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)phenoxy]-N,N-diethylacetamide (PubChem CID 110532395) has the molecular formula C22H32N4O3 and a molecular weight of 400.52 g/mol. Its IUPAC name is 2-[2-ethoxy-4-(5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)phenoxy]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[2-ethoxy-4-(5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)phenoxy]-N,N-diethylacetamide
PubChem CID110532395
Molecular FormulaC22H32N4O3
Molecular Weight400.52 g/mol
Exact Mass400.25
IUPAC Name2-[2-ethoxy-4-(5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)phenoxy]-N,N-diethylacetamide
SMILESCCOc1cc(-c2n[nH]c3c2CN(CC)CC3)ccc1OCC(=O)N(CC)CC
InChIInChI=1S/C22H32N4O3/c1-5-25-12-11-18-17(14-25)22(24-23-18)16-9-10-19(20(13-16)28-8-4)29-15-21(27)26(6-2)7-3/h9-10,13H,5-8,11-12,14-15H2,1-4H3,(H,23,24)
InChIKeyYCQIQEOVRQGJPK-UHFFFAOYSA-N
XLogP3.10
TPSA70.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxy-4-(5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)phenoxy]-N,N-diethylacetamide?
The IUPAC name of 2-[2-ethoxy-4-(5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)phenoxy]-N,N-diethylacetamide (CID 110532395) is 2-[2-ethoxy-4-(5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)phenoxy]-N,N-diethylacetamide.
What is the SMILES notation for 2-[2-ethoxy-4-(5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)phenoxy]-N,N-diethylacetamide?
The canonical SMILES for 2-[2-ethoxy-4-(5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)phenoxy]-N,N-diethylacetamide is CCOc1cc(-c2n[nH]c3c2CN(CC)CC3)ccc1OCC(=O)N(CC)CC.
What is the InChIKey of 2-[2-ethoxy-4-(5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)phenoxy]-N,N-diethylacetamide?
The InChIKey is YCQIQEOVRQGJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O3/c1-5-25-12-11-18-17(14-25)22(24-23-18)16-9-10-19(20(13-16)28-8-4)29-15-21(27)26(6-2)7-3/h9-10,13H,5-8,11-12,14-15H2,1-4H3,(H,23,24).
What are the key properties of 2-[2-ethoxy-4-(5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)phenoxy]-N,N-diethylacetamide?
2-[2-ethoxy-4-(5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)phenoxy]-N,N-diethylacetamide has a molecular weight of 400.52 g/mol, XLogP of 3.10, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxy-4-(5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)phenoxy]-N,N-diethylacetamide is sourced from PubChem (CID 110532395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).