3-[5-[(1S)-1-(3,5-dimethylpyridazin-4-yl)ethoxy]-6-methoxy-1H-indazol-3-yl]-5-methoxybenzonitrile

C24H23N5O3 — CID 167291099

IUPAC3-[5-[(1S)-1-(3,5-dimethylpyridazin-4-yl)ethoxy]-6-methoxy-1H-indazol-3-yl]-5-methoxybenzonitrile
SMILESCOc1cc(C#N)cc(-c2n[nH]c3cc(OC)c(O[C@@H](C)c4c(C)cnnc4C)cc23)c1
InChIInChI=1S/C24H23N5O3/c1-13-12-26-27-14(2)23(13)15(3)32-22-9-19-20(10-21(22)31-5)28-29-24(19)17-6-16(11-25)7-18(8-17)30-4/h6-10,12,15H,1-5H3,(H,28,29)/t15-/m0/s1
InChIKeyIECMASWROBQOON-HNNXBMFYSA-N
MW429.48 g/mol
LogP4.67
Rot. Bonds6

About 3-[5-[(1S)-1-(3,5-dimethylpyridazin-4-yl)ethoxy]-6-methoxy-1H-indazol-3-yl]-5-methoxybenzonitrile

3-[5-[(1S)-1-(3,5-dimethylpyridazin-4-yl)ethoxy]-6-methoxy-1H-indazol-3-yl]-5-methoxybenzonitrile (PubChem CID 167291099) has the molecular formula C24H23N5O3 and a molecular weight of 429.48 g/mol. Its IUPAC name is 3-[5-[(1S)-1-(3,5-dimethylpyridazin-4-yl)ethoxy]-6-methoxy-1H-indazol-3-yl]-5-methoxybenzonitrile.

Molecular Properties

Compound Name3-[5-[(1S)-1-(3,5-dimethylpyridazin-4-yl)ethoxy]-6-methoxy-1H-indazol-3-yl]-5-methoxybenzonitrile
PubChem CID167291099
Molecular FormulaC24H23N5O3
Molecular Weight429.48 g/mol
Exact Mass429.18
IUPAC Name3-[5-[(1S)-1-(3,5-dimethylpyridazin-4-yl)ethoxy]-6-methoxy-1H-indazol-3-yl]-5-methoxybenzonitrile
SMILESCOc1cc(C#N)cc(-c2n[nH]c3cc(OC)c(O[C@@H](C)c4c(C)cnnc4C)cc23)c1
InChIInChI=1S/C24H23N5O3/c1-13-12-26-27-14(2)23(13)15(3)32-22-9-19-20(10-21(22)31-5)28-29-24(19)17-6-16(11-25)7-18(8-17)30-4/h6-10,12,15H,1-5H3,(H,28,29)/t15-/m0/s1
InChIKeyIECMASWROBQOON-HNNXBMFYSA-N
XLogP4.67
TPSA105.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[5-[(1S)-1-(3,5-dimethylpyridazin-4-yl)ethoxy]-6-methoxy-1H-indazol-3-yl]-5-methoxybenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[5-[(1R)-1-(3,5-dimethylpyridazin-4-yl)ethoxy]-6-methoxy-1H-indazol-3-yl]-2-[(3S)-3-hydroxypyrrolidin-1-yl]pyridine-3-carbonitrile
CID 167156334
5-[(1R)-1-(3,5-dimethylpyridazin-4-yl)ethoxy]-6-methoxy-3-[6-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]-1H-indazole
CID 174340056
5-[(1R)-1-(3,5-dimethylpyridazin-4-yl)ethoxy]-6-methoxy-3-[6-(2-methylsulfonyl-2,6-diazaspiro[3.3]heptan-6-yl)-3-pyridinyl]-1H-indazole
CID 170647448
(S)-(3,5-dimethylpyridazin-4-yl)-[[3-(3-ethoxy-5-methoxyphenyl)-1H-indazol-5-yl]oxy]methanamine
CID 167290884
5-[(1R)-1-(3,5-dimethylpyridazin-4-yl)ethoxy]-3-(5-methoxy-6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole
CID 164565920
5-[5-[(1R)-1-(3,5-dimethylpyridazin-4-yl)ethoxy]-6-methoxy-1-(oxan-2-yl)indazol-3-yl]-2-fluoropyridine-3-carbonitrile
CID 169101635
methyl 6-[5-[5-[1-(3,5-dimethylpyridazin-4-yl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate
CID 174222966
3-[5-[(1R)-1-(3,5-dimethylpyridazin-4-yl)ethoxy]-2-(oxan-2-ylamino)benzenecarboximidoyl]-5-methoxybenzonitrile
CID 167291080
5-[(1R)-1-(3,5-dichloropyridazin-4-yl)ethoxy]-6-methoxy-3-[6-(2-methylsulfinyl-2,6-diazaspiro[3.3]heptan-6-yl)-3-pyridinyl]-1H-indazole
CID 171408831
5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-6-methoxy-3-[5-methyl-6-(2-methylsulfonyl-2,6-diazaspiro[3.3]heptan-6-yl)-3-pyridinyl]-1H-indazole
CID 171408773
2-[3-amino-3-(2-methylsulfonylethyl)azetidin-1-yl]-5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-6-methoxy-1H-indazol-3-yl]pyridine-3-carbonitrile
CID 170708646
3-(3,5-dimethoxyphenyl)-4,5-dimethyl-1H-pyridazin-6-one
CID 106519195

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(1S)-1-(3,5-dimethylpyridazin-4-yl)ethoxy]-6-methoxy-1H-indazol-3-yl]-5-methoxybenzonitrile?
The IUPAC name of 3-[5-[(1S)-1-(3,5-dimethylpyridazin-4-yl)ethoxy]-6-methoxy-1H-indazol-3-yl]-5-methoxybenzonitrile (CID 167291099) is 3-[5-[(1S)-1-(3,5-dimethylpyridazin-4-yl)ethoxy]-6-methoxy-1H-indazol-3-yl]-5-methoxybenzonitrile.
What is the SMILES notation for 3-[5-[(1S)-1-(3,5-dimethylpyridazin-4-yl)ethoxy]-6-methoxy-1H-indazol-3-yl]-5-methoxybenzonitrile?
The canonical SMILES for 3-[5-[(1S)-1-(3,5-dimethylpyridazin-4-yl)ethoxy]-6-methoxy-1H-indazol-3-yl]-5-methoxybenzonitrile is COc1cc(C#N)cc(-c2n[nH]c3cc(OC)c(O[C@@H](C)c4c(C)cnnc4C)cc23)c1.
What is the InChIKey of 3-[5-[(1S)-1-(3,5-dimethylpyridazin-4-yl)ethoxy]-6-methoxy-1H-indazol-3-yl]-5-methoxybenzonitrile?
The InChIKey is IECMASWROBQOON-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H23N5O3/c1-13-12-26-27-14(2)23(13)15(3)32-22-9-19-20(10-21(22)31-5)28-29-24(19)17-6-16(11-25)7-18(8-17)30-4/h6-10,12,15H,1-5H3,(H,28,29)/t15-/m0/s1.
What are the key properties of 3-[5-[(1S)-1-(3,5-dimethylpyridazin-4-yl)ethoxy]-6-methoxy-1H-indazol-3-yl]-5-methoxybenzonitrile?
3-[5-[(1S)-1-(3,5-dimethylpyridazin-4-yl)ethoxy]-6-methoxy-1H-indazol-3-yl]-5-methoxybenzonitrile has a molecular weight of 429.48 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(1S)-1-(3,5-dimethylpyridazin-4-yl)ethoxy]-6-methoxy-1H-indazol-3-yl]-5-methoxybenzonitrile is sourced from PubChem (CID 167291099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).