5-[(1R)-1-(3,5-dimethylpyridazin-4-yl)ethoxy]-3-(5-methoxy-6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole

C25H28N6O2 — CID 164565920

IUPAC5-[(1R)-1-(3,5-dimethylpyridazin-4-yl)ethoxy]-3-(5-methoxy-6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole
SMILESCOc1cc(-c2n[nH]c3ccc(O[C@H](C)c4c(C)cnnc4C)cc23)cnc1N1CCCC1
InChIInChI=1S/C25H28N6O2/c1-15-13-27-28-16(2)23(15)17(3)33-19-7-8-21-20(12-19)24(30-29-21)18-11-22(32-4)25(26-14-18)31-9-5-6-10-31/h7-8,11-14,17H,5-6,9-10H2,1-4H3,(H,29,30)/t17-/m1/s1
InChIKeyKWBULXVEISPYAP-QGZVFWFLSA-N
MW444.54 g/mol
LogP4.78
Rot. Bonds6

About 5-[(1R)-1-(3,5-dimethylpyridazin-4-yl)ethoxy]-3-(5-methoxy-6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole

5-[(1R)-1-(3,5-dimethylpyridazin-4-yl)ethoxy]-3-(5-methoxy-6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole (PubChem CID 164565920) has the molecular formula C25H28N6O2 and a molecular weight of 444.54 g/mol. Its IUPAC name is 5-[(1R)-1-(3,5-dimethylpyridazin-4-yl)ethoxy]-3-(5-methoxy-6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole.

Molecular Properties

Compound Name5-[(1R)-1-(3,5-dimethylpyridazin-4-yl)ethoxy]-3-(5-methoxy-6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole
PubChem CID164565920
Molecular FormulaC25H28N6O2
Molecular Weight444.54 g/mol
Exact Mass444.23
IUPAC Name5-[(1R)-1-(3,5-dimethylpyridazin-4-yl)ethoxy]-3-(5-methoxy-6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole
SMILESCOc1cc(-c2n[nH]c3ccc(O[C@H](C)c4c(C)cnnc4C)cc23)cnc1N1CCCC1
InChIInChI=1S/C25H28N6O2/c1-15-13-27-28-16(2)23(15)17(3)33-19-7-8-21-20(12-19)24(30-29-21)18-11-22(32-4)25(26-14-18)31-9-5-6-10-31/h7-8,11-14,17H,5-6,9-10H2,1-4H3,(H,29,30)/t17-/m1/s1
InChIKeyKWBULXVEISPYAP-QGZVFWFLSA-N
XLogP4.78
TPSA89.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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
2-(azetidin-1-yl)-5-[5-[1-(3,5-dichloropyridazin-4-yl)ethoxy]-1H-indazol-3-yl]pyridine-3-carbonitrile
CID 174223089
4-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-3-methyl-2-pyridinyl]morpholine
CID 171408943
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
(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]-6-methoxy-3-[6-(2-methylsulfonyl-2,6-diazaspiro[3.3]heptan-6-yl)-3-pyridinyl]-1H-indazole
CID 170647448
[4-[5-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-3-fluoro-2-pyridinyl]piperazin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 174222938
5-[5-[(S)-amino-(3,5-dimethylpyridazin-4-yl)methoxy]-1H-indazol-3-yl]-2-[6-(2-hydroxy-2-methylpropyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyridine-3-carbonitrile
CID 167156336
3-[5-[(1S)-1-(3,5-dimethylpyridazin-4-yl)ethoxy]-6-methoxy-1H-indazol-3-yl]-5-methoxybenzonitrile
CID 167291099
5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-(3-methyl-3-pyrrolidin-1-ylazetidin-1-yl)pyridine-3-carbonitrile
CID 170708822
4-[5-(5-propan-2-yloxy-1H-indazol-3-yl)pyridazin-3-yl]morpholine
CID 169236238

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-(3,5-dimethylpyridazin-4-yl)ethoxy]-3-(5-methoxy-6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole?
The IUPAC name of 5-[(1R)-1-(3,5-dimethylpyridazin-4-yl)ethoxy]-3-(5-methoxy-6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole (CID 164565920) is 5-[(1R)-1-(3,5-dimethylpyridazin-4-yl)ethoxy]-3-(5-methoxy-6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole.
What is the SMILES notation for 5-[(1R)-1-(3,5-dimethylpyridazin-4-yl)ethoxy]-3-(5-methoxy-6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole?
The canonical SMILES for 5-[(1R)-1-(3,5-dimethylpyridazin-4-yl)ethoxy]-3-(5-methoxy-6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole is COc1cc(-c2n[nH]c3ccc(O[C@H](C)c4c(C)cnnc4C)cc23)cnc1N1CCCC1.
What is the InChIKey of 5-[(1R)-1-(3,5-dimethylpyridazin-4-yl)ethoxy]-3-(5-methoxy-6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole?
The InChIKey is KWBULXVEISPYAP-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H28N6O2/c1-15-13-27-28-16(2)23(15)17(3)33-19-7-8-21-20(12-19)24(30-29-21)18-11-22(32-4)25(26-14-18)31-9-5-6-10-31/h7-8,11-14,17H,5-6,9-10H2,1-4H3,(H,29,30)/t17-/m1/s1.
What are the key properties of 5-[(1R)-1-(3,5-dimethylpyridazin-4-yl)ethoxy]-3-(5-methoxy-6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole?
5-[(1R)-1-(3,5-dimethylpyridazin-4-yl)ethoxy]-3-(5-methoxy-6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole has a molecular weight of 444.54 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-(3,5-dimethylpyridazin-4-yl)ethoxy]-3-(5-methoxy-6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole is sourced from PubChem (CID 164565920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).