7-cyano-3-[2-[1-(2-morpholin-4-ylethyl)-6-pyridazin-3-yloxyindol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide

C32H28N6O5 — CID 121474956

IUPAC7-cyano-3-[2-[1-(2-morpholin-4-ylethyl)-6-pyridazin-3-yloxyindol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide
SMILESN#Cc1ccc2cc(OCC(=O)c3cn(CCN4CCOCC4)c4cc(Oc5cccnn5)ccc34)c(C(N)=O)cc2c1
InChIInChI=1S/C32H28N6O5/c33-18-21-3-4-22-16-30(26(32(34)40)15-23(22)14-21)42-20-29(39)27-19-38(9-8-37-10-12-41-13-11-37)28-17-24(5-6-25(27)28)43-31-2-1-7-35-36-31/h1-7,14-17,19H,8-13,20H2,(H2,34,40)
InChIKeyYOXNAZHLULYRMR-UHFFFAOYSA-N
MW576.61 g/mol
LogP3.94
Rot. Bonds10

About 7-cyano-3-[2-[1-(2-morpholin-4-ylethyl)-6-pyridazin-3-yloxyindol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide

7-cyano-3-[2-[1-(2-morpholin-4-ylethyl)-6-pyridazin-3-yloxyindol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide (PubChem CID 121474956) has the molecular formula C32H28N6O5 and a molecular weight of 576.61 g/mol. Its IUPAC name is 7-cyano-3-[2-[1-(2-morpholin-4-ylethyl)-6-pyridazin-3-yloxyindol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide.

Molecular Properties

Compound Name7-cyano-3-[2-[1-(2-morpholin-4-ylethyl)-6-pyridazin-3-yloxyindol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide
PubChem CID121474956
Molecular FormulaC32H28N6O5
Molecular Weight576.61 g/mol
Exact Mass576.21
IUPAC Name7-cyano-3-[2-[1-(2-morpholin-4-ylethyl)-6-pyridazin-3-yloxyindol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide
SMILESN#Cc1ccc2cc(OCC(=O)c3cn(CCN4CCOCC4)c4cc(Oc5cccnn5)ccc34)c(C(N)=O)cc2c1
InChIInChI=1S/C32H28N6O5/c33-18-21-3-4-22-16-30(26(32(34)40)15-23(22)14-21)42-20-29(39)27-19-38(9-8-37-10-12-41-13-11-37)28-17-24(5-6-25(27)28)43-31-2-1-7-35-36-31/h1-7,14-17,19H,8-13,20H2,(H2,34,40)
InChIKeyYOXNAZHLULYRMR-UHFFFAOYSA-N
XLogP3.94
TPSA145.59 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500576.61
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

7-chloro-3-[2-[1-[2-[(3R,4S)-3,4-dihydroxy-2-oxopyrrolidin-1-yl]ethyl]-6-pyridazin-3-yloxyindol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide
CID 121473715
7-chloro-3-[2-[6-[(1E,3Z)-1,4-diaminobuta-1,3-dienoxy]-1-[2-(3-hydroxyazetidin-1-yl)ethyl]indol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide
CID 145118004
7-chloro-3-[2-oxo-2-(6-propan-2-yl-1-propylindol-3-yl)ethoxy]naphthalene-2-carboxamide
CID 145117768
7-chloro-3-[2-[6-cyclopropyl-1-[(3S)-3,4-dihydroxy-3-methylbutyl]indol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide
CID 121475070
7-chloro-3-[2-(6-cyano-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-oxoethoxy]naphthalene-2-carboxamide
CID 121473662
3-[2-[6-cyclopropyl-1-[2-[(2-hydroxy-2-methylpropyl)amino]-2-oxoethyl]indol-3-yl]-2-oxoethoxy]-7-methylnaphthalene-2-carboxamide
CID 145117737
7-chloro-3-[2-[6-cyclopropyl-1-[(2R)-2-hydroxy-3-(2-hydroxyethylamino)-3-oxopropyl]indol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide
CID 121473736
[1-(2-morpholin-4-ylethyl)indol-3-yl]-quinolin-6-ylmethanone
CID 10452672
4-[1-(2-morpholin-4-ylethyl)indole-3-carbonyl]naphthalene-1-carbonitrile
CID 11742248
3-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-indazole-5-carbonitrile
CID 22480066
4-(3-morpholin-4-ylpropoxy)benzonitrile
CID 2993836
2-(4-cyano-2-ethoxyphenoxy)-N-(3-morpholin-4-ylpropyl)acetamide
CID 30532507

Frequently Asked Questions

What is the IUPAC name of 7-cyano-3-[2-[1-(2-morpholin-4-ylethyl)-6-pyridazin-3-yloxyindol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide?
The IUPAC name of 7-cyano-3-[2-[1-(2-morpholin-4-ylethyl)-6-pyridazin-3-yloxyindol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide (CID 121474956) is 7-cyano-3-[2-[1-(2-morpholin-4-ylethyl)-6-pyridazin-3-yloxyindol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide.
What is the SMILES notation for 7-cyano-3-[2-[1-(2-morpholin-4-ylethyl)-6-pyridazin-3-yloxyindol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide?
The canonical SMILES for 7-cyano-3-[2-[1-(2-morpholin-4-ylethyl)-6-pyridazin-3-yloxyindol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide is N#Cc1ccc2cc(OCC(=O)c3cn(CCN4CCOCC4)c4cc(Oc5cccnn5)ccc34)c(C(N)=O)cc2c1.
What is the InChIKey of 7-cyano-3-[2-[1-(2-morpholin-4-ylethyl)-6-pyridazin-3-yloxyindol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide?
The InChIKey is YOXNAZHLULYRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N6O5/c33-18-21-3-4-22-16-30(26(32(34)40)15-23(22)14-21)42-20-29(39)27-19-38(9-8-37-10-12-41-13-11-37)28-17-24(5-6-25(27)28)43-31-2-1-7-35-36-31/h1-7,14-17,19H,8-13,20H2,(H2,34,40).
What are the key properties of 7-cyano-3-[2-[1-(2-morpholin-4-ylethyl)-6-pyridazin-3-yloxyindol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide?
7-cyano-3-[2-[1-(2-morpholin-4-ylethyl)-6-pyridazin-3-yloxyindol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide has a molecular weight of 576.61 g/mol, XLogP of 3.94, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyano-3-[2-[1-(2-morpholin-4-ylethyl)-6-pyridazin-3-yloxyindol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide is sourced from PubChem (CID 121474956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).