6-[4-[[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxylic acid

C26H33N7O3 — CID 166045197

IUPAC6-[4-[[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxylic acid
SMILESCCc1cc2ncc(CN3CCN(CC4CCN(c5ccc(C(=O)O)nn5)CC4)CC3)cc2[nH]c1=O
InChIInChI=1S/C26H33N7O3/c1-2-20-14-22-23(28-25(20)34)13-19(15-27-22)17-32-11-9-31(10-12-32)16-18-5-7-33(8-6-18)24-4-3-21(26(35)36)29-30-24/h3-4,13-15,18H,2,5-12,16-17H2,1H3,(H,28,34)(H,35,36)
InChIKeyNGEHATHCIWXICQ-UHFFFAOYSA-N
MW491.60 g/mol
LogP2.01
Rot. Bonds7

About 6-[4-[[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxylic acid

6-[4-[[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxylic acid (PubChem CID 166045197) has the molecular formula C26H33N7O3 and a molecular weight of 491.60 g/mol. Its IUPAC name is 6-[4-[[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-[4-[[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxylic acid
PubChem CID166045197
Molecular FormulaC26H33N7O3
Molecular Weight491.60 g/mol
Exact Mass491.26
IUPAC Name6-[4-[[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxylic acid
SMILESCCc1cc2ncc(CN3CCN(CC4CCN(c5ccc(C(=O)O)nn5)CC4)CC3)cc2[nH]c1=O
InChIInChI=1S/C26H33N7O3/c1-2-20-14-22-23(28-25(20)34)13-19(15-27-22)17-32-11-9-31(10-12-32)16-18-5-7-33(8-6-18)24-4-3-21(26(35)36)29-30-24/h3-4,13-15,18H,2,5-12,16-17H2,1H3,(H,28,34)(H,35,36)
InChIKeyNGEHATHCIWXICQ-UHFFFAOYSA-N
XLogP2.01
TPSA118.55 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.60
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxylic acid?
The IUPAC name of 6-[4-[[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxylic acid (CID 166045197) is 6-[4-[[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-[4-[[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxylic acid?
The canonical SMILES for 6-[4-[[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxylic acid is CCc1cc2ncc(CN3CCN(CC4CCN(c5ccc(C(=O)O)nn5)CC4)CC3)cc2[nH]c1=O.
What is the InChIKey of 6-[4-[[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxylic acid?
The InChIKey is NGEHATHCIWXICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N7O3/c1-2-20-14-22-23(28-25(20)34)13-19(15-27-22)17-32-11-9-31(10-12-32)16-18-5-7-33(8-6-18)24-4-3-21(26(35)36)29-30-24/h3-4,13-15,18H,2,5-12,16-17H2,1H3,(H,28,34)(H,35,36).
What are the key properties of 6-[4-[[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxylic acid?
6-[4-[[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxylic acid has a molecular weight of 491.60 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxylic acid is sourced from PubChem (CID 166045197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).