6-[4-[2-[5-[1-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3,4-dihydro-2H-1,7-naphthyridin-6-yl]-2-pyridinyl]ethyl]piperidin-1-yl]pyridazine-3-carboxylic acid

C35H37N7O3 — CID 177132253

IUPAC6-[4-[2-[5-[1-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3,4-dihydro-2H-1,7-naphthyridin-6-yl]-2-pyridinyl]ethyl]piperidin-1-yl]pyridazine-3-carboxylic acid
SMILESCN1C(=O)CCc2cc(N3CCCc4cc(-c5ccc(CCC6CCN(c7ccc(C(=O)O)nn7)CC6)nc5)ncc43)ccc21
InChIInChI=1S/C35H37N7O3/c1-40-31-11-9-28(19-25(31)6-13-34(40)43)42-16-2-3-24-20-30(37-22-32(24)42)26-5-8-27(36-21-26)7-4-23-14-17-41(18-15-23)33-12-10-29(35(44)45)38-39-33/h5,8-12,19-23H,2-4,6-7,13-18H2,1H3,(H,44,45)
InChIKeyXGMLMCAVKGYXGR-UHFFFAOYSA-N
MW603.73 g/mol
LogP5.47
Rot. Bonds7

About 6-[4-[2-[5-[1-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3,4-dihydro-2H-1,7-naphthyridin-6-yl]-2-pyridinyl]ethyl]piperidin-1-yl]pyridazine-3-carboxylic acid

6-[4-[2-[5-[1-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3,4-dihydro-2H-1,7-naphthyridin-6-yl]-2-pyridinyl]ethyl]piperidin-1-yl]pyridazine-3-carboxylic acid (PubChem CID 177132253) has the molecular formula C35H37N7O3 and a molecular weight of 603.73 g/mol. Its IUPAC name is 6-[4-[2-[5-[1-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3,4-dihydro-2H-1,7-naphthyridin-6-yl]-2-pyridinyl]ethyl]piperidin-1-yl]pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-[4-[2-[5-[1-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3,4-dihydro-2H-1,7-naphthyridin-6-yl]-2-pyridinyl]ethyl]piperidin-1-yl]pyridazine-3-carboxylic acid
PubChem CID177132253
Molecular FormulaC35H37N7O3
Molecular Weight603.73 g/mol
Exact Mass603.30
IUPAC Name6-[4-[2-[5-[1-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3,4-dihydro-2H-1,7-naphthyridin-6-yl]-2-pyridinyl]ethyl]piperidin-1-yl]pyridazine-3-carboxylic acid
SMILESCN1C(=O)CCc2cc(N3CCCc4cc(-c5ccc(CCC6CCN(c7ccc(C(=O)O)nn7)CC6)nc5)ncc43)ccc21
InChIInChI=1S/C35H37N7O3/c1-40-31-11-9-28(19-25(31)6-13-34(40)43)42-16-2-3-24-20-30(37-22-32(24)42)26-5-8-27(36-21-26)7-4-23-14-17-41(18-15-23)33-12-10-29(35(44)45)38-39-33/h5,8-12,19-23H,2-4,6-7,13-18H2,1H3,(H,44,45)
InChIKeyXGMLMCAVKGYXGR-UHFFFAOYSA-N
XLogP5.47
TPSA115.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.73
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-[4-[2-[5-[1-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3,4-dihydro-2H-1,7-naphthyridin-6-yl]-2-pyridinyl]ethyl]piperidin-1-yl]pyridazine-3-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-[5-[1-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3,4-dihydro-2H-1,7-naphthyridin-6-yl]-2-pyridinyl]ethyl]piperidin-1-yl]pyridazine-3-carboxylic acid?
The IUPAC name of 6-[4-[2-[5-[1-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3,4-dihydro-2H-1,7-naphthyridin-6-yl]-2-pyridinyl]ethyl]piperidin-1-yl]pyridazine-3-carboxylic acid (CID 177132253) is 6-[4-[2-[5-[1-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3,4-dihydro-2H-1,7-naphthyridin-6-yl]-2-pyridinyl]ethyl]piperidin-1-yl]pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-[4-[2-[5-[1-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3,4-dihydro-2H-1,7-naphthyridin-6-yl]-2-pyridinyl]ethyl]piperidin-1-yl]pyridazine-3-carboxylic acid?
The canonical SMILES for 6-[4-[2-[5-[1-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3,4-dihydro-2H-1,7-naphthyridin-6-yl]-2-pyridinyl]ethyl]piperidin-1-yl]pyridazine-3-carboxylic acid is CN1C(=O)CCc2cc(N3CCCc4cc(-c5ccc(CCC6CCN(c7ccc(C(=O)O)nn7)CC6)nc5)ncc43)ccc21.
What is the InChIKey of 6-[4-[2-[5-[1-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3,4-dihydro-2H-1,7-naphthyridin-6-yl]-2-pyridinyl]ethyl]piperidin-1-yl]pyridazine-3-carboxylic acid?
The InChIKey is XGMLMCAVKGYXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H37N7O3/c1-40-31-11-9-28(19-25(31)6-13-34(40)43)42-16-2-3-24-20-30(37-22-32(24)42)26-5-8-27(36-21-26)7-4-23-14-17-41(18-15-23)33-12-10-29(35(44)45)38-39-33/h5,8-12,19-23H,2-4,6-7,13-18H2,1H3,(H,44,45).
What are the key properties of 6-[4-[2-[5-[1-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3,4-dihydro-2H-1,7-naphthyridin-6-yl]-2-pyridinyl]ethyl]piperidin-1-yl]pyridazine-3-carboxylic acid?
6-[4-[2-[5-[1-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3,4-dihydro-2H-1,7-naphthyridin-6-yl]-2-pyridinyl]ethyl]piperidin-1-yl]pyridazine-3-carboxylic acid has a molecular weight of 603.73 g/mol, XLogP of 5.47, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-[5-[1-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3,4-dihydro-2H-1,7-naphthyridin-6-yl]-2-pyridinyl]ethyl]piperidin-1-yl]pyridazine-3-carboxylic acid is sourced from PubChem (CID 177132253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).