6-[6-fluoro-3-(2-morpholin-4-ylethyl)indol-1-yl]-2-[2-[(7-methoxy-1,5-naphthyridin-4-yl)amino]ethyl]pyridazin-3-one

C29H30FN7O3 — CID 73387644

IUPAC6-[6-fluoro-3-(2-morpholin-4-ylethyl)indol-1-yl]-2-[2-[(7-methoxy-1,5-naphthyridin-4-yl)amino]ethyl]pyridazin-3-one
SMILESCOc1cnc2c(NCCn3nc(-n4cc(CCN5CCOCC5)c5ccc(F)cc54)ccc3=O)ccnc2c1
InChIInChI=1S/C29H30FN7O3/c1-39-22-17-25-29(33-18-22)24(6-8-31-25)32-9-11-37-28(38)5-4-27(34-37)36-19-20(7-10-35-12-14-40-15-13-35)23-3-2-21(30)16-26(23)36/h2-6,8,16-19H,7,9-15H2,1H3,(H,31,32)
InChIKeyGVVPKNSQOMCOOW-UHFFFAOYSA-N
MW543.60 g/mol
LogP3.26
Rot. Bonds9

About 6-[6-fluoro-3-(2-morpholin-4-ylethyl)indol-1-yl]-2-[2-[(7-methoxy-1,5-naphthyridin-4-yl)amino]ethyl]pyridazin-3-one

6-[6-fluoro-3-(2-morpholin-4-ylethyl)indol-1-yl]-2-[2-[(7-methoxy-1,5-naphthyridin-4-yl)amino]ethyl]pyridazin-3-one (PubChem CID 73387644) has the molecular formula C29H30FN7O3 and a molecular weight of 543.60 g/mol. Its IUPAC name is 6-[6-fluoro-3-(2-morpholin-4-ylethyl)indol-1-yl]-2-[2-[(7-methoxy-1,5-naphthyridin-4-yl)amino]ethyl]pyridazin-3-one.

Molecular Properties

Compound Name6-[6-fluoro-3-(2-morpholin-4-ylethyl)indol-1-yl]-2-[2-[(7-methoxy-1,5-naphthyridin-4-yl)amino]ethyl]pyridazin-3-one
PubChem CID73387644
Molecular FormulaC29H30FN7O3
Molecular Weight543.60 g/mol
Exact Mass543.24
IUPAC Name6-[6-fluoro-3-(2-morpholin-4-ylethyl)indol-1-yl]-2-[2-[(7-methoxy-1,5-naphthyridin-4-yl)amino]ethyl]pyridazin-3-one
SMILESCOc1cnc2c(NCCn3nc(-n4cc(CCN5CCOCC5)c5ccc(F)cc54)ccc3=O)ccnc2c1
InChIInChI=1S/C29H30FN7O3/c1-39-22-17-25-29(33-18-22)24(6-8-31-25)32-9-11-37-28(38)5-4-27(34-37)36-19-20(7-10-35-12-14-40-15-13-35)23-3-2-21(30)16-26(23)36/h2-6,8,16-19H,7,9-15H2,1H3,(H,31,32)
InChIKeyGVVPKNSQOMCOOW-UHFFFAOYSA-N
XLogP3.26
TPSA99.33 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.60
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 6-[6-fluoro-3-(2-morpholin-4-ylethyl)indol-1-yl]-2-[2-[(7-methoxy-1,5-naphthyridin-4-yl)amino]ethyl]pyridazin-3-one with MolForge

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Launch Full Analysis

Related Compounds

6-[6-fluoro-3-(3-hydroxypropyl)indol-1-yl]-2-[2-[(7-methoxy-1,5-naphthyridin-4-yl)amino]ethyl]pyridazin-3-one
CID 73387872
5-[6-fluoro-3-(3-pyrrolidin-1-ylpropyl)indol-1-yl]-1-[2-[(7-methoxy-1,5-naphthyridin-4-yl)amino]ethyl]pyrrol-1-ium-2-one
CID 123481787
6-(6-fluoro-3-methoxyindol-1-yl)-2-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridazin-3-one
CID 73387530
2-[2-[(7-methoxyquinolin-4-yl)amino]ethyl]-6-phenylpyridazin-3-one
CID 59843110
4-[3-(6-fluoro-1-methylindol-3-yl)propyl]morpholine
CID 170871004
2-[2-[(2-chloro-4-pyridinyl)oxy]ethyl]-6-(6-fluoro-3-methylindol-1-yl)pyridazin-3-one
CID 144581255
3-N-[4-[3-[(dimethylamino)methyl]-6-fluoroindol-1-yl]pyrimidin-2-yl]-2-methoxy-6-morpholin-4-ylpyridine-3,5-diamine
CID 175394692
6-[3-bromo-6-(4-methoxyphenyl)indol-1-yl]-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine
CID 50992374
N'-(3,5-dimethoxyphenyl)-N-(7-fluoroquinolin-4-yl)ethane-1,2-diamine
CID 154864206
4-(4-amino-2-fluorophenoxy)-7-methoxy-N-(2-morpholin-4-ylethyl)quinolin-6-amine
CID 155779576
6-fluoro-1-[2-(2-methoxy-4-morpholin-4-yl-5-nitroanilino)pyrimidin-4-yl]indole-3-carbaldehyde
CID 175394658
2-fluoro-4-methoxy-N-(3-morpholin-4-ylpropyl)aniline
CID 82538948

Frequently Asked Questions

What is the IUPAC name of 6-[6-fluoro-3-(2-morpholin-4-ylethyl)indol-1-yl]-2-[2-[(7-methoxy-1,5-naphthyridin-4-yl)amino]ethyl]pyridazin-3-one?
The IUPAC name of 6-[6-fluoro-3-(2-morpholin-4-ylethyl)indol-1-yl]-2-[2-[(7-methoxy-1,5-naphthyridin-4-yl)amino]ethyl]pyridazin-3-one (CID 73387644) is 6-[6-fluoro-3-(2-morpholin-4-ylethyl)indol-1-yl]-2-[2-[(7-methoxy-1,5-naphthyridin-4-yl)amino]ethyl]pyridazin-3-one.
What is the SMILES notation for 6-[6-fluoro-3-(2-morpholin-4-ylethyl)indol-1-yl]-2-[2-[(7-methoxy-1,5-naphthyridin-4-yl)amino]ethyl]pyridazin-3-one?
The canonical SMILES for 6-[6-fluoro-3-(2-morpholin-4-ylethyl)indol-1-yl]-2-[2-[(7-methoxy-1,5-naphthyridin-4-yl)amino]ethyl]pyridazin-3-one is COc1cnc2c(NCCn3nc(-n4cc(CCN5CCOCC5)c5ccc(F)cc54)ccc3=O)ccnc2c1.
What is the InChIKey of 6-[6-fluoro-3-(2-morpholin-4-ylethyl)indol-1-yl]-2-[2-[(7-methoxy-1,5-naphthyridin-4-yl)amino]ethyl]pyridazin-3-one?
The InChIKey is GVVPKNSQOMCOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30FN7O3/c1-39-22-17-25-29(33-18-22)24(6-8-31-25)32-9-11-37-28(38)5-4-27(34-37)36-19-20(7-10-35-12-14-40-15-13-35)23-3-2-21(30)16-26(23)36/h2-6,8,16-19H,7,9-15H2,1H3,(H,31,32).
What are the key properties of 6-[6-fluoro-3-(2-morpholin-4-ylethyl)indol-1-yl]-2-[2-[(7-methoxy-1,5-naphthyridin-4-yl)amino]ethyl]pyridazin-3-one?
6-[6-fluoro-3-(2-morpholin-4-ylethyl)indol-1-yl]-2-[2-[(7-methoxy-1,5-naphthyridin-4-yl)amino]ethyl]pyridazin-3-one has a molecular weight of 543.60 g/mol, XLogP of 3.26, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-fluoro-3-(2-morpholin-4-ylethyl)indol-1-yl]-2-[2-[(7-methoxy-1,5-naphthyridin-4-yl)amino]ethyl]pyridazin-3-one is sourced from PubChem (CID 73387644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).