5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-6-methoxy-3-[6-[(2S)-2-methylazetidin-1-yl]-3-pyridinyl]-1H-indazole

C24H23Cl2N5O2 — CID 174222955

IUPAC5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-6-methoxy-3-[6-[(2S)-2-methylazetidin-1-yl]-3-pyridinyl]-1H-indazole
SMILESCOc1cc2[nH]nc(-c3ccc(N4CC[C@@H]4C)nc3)c2cc1O[C@H](C)c1c(Cl)cncc1Cl
InChIInChI=1S/C24H23Cl2N5O2/c1-13-6-7-31(13)22-5-4-15(10-28-22)24-16-8-21(20(32-3)9-19(16)29-30-24)33-14(2)23-17(25)11-27-12-18(23)26/h4-5,8-14H,6-7H2,1-3H3,(H,29,30)/t13-,14+/m0/s1
InChIKeyFQMOTNPJZKOJJL-UONOGXRCSA-N
MW484.39 g/mol
LogP6.07
Rot. Bonds6

About 5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-6-methoxy-3-[6-[(2S)-2-methylazetidin-1-yl]-3-pyridinyl]-1H-indazole

5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-6-methoxy-3-[6-[(2S)-2-methylazetidin-1-yl]-3-pyridinyl]-1H-indazole (PubChem CID 174222955) has the molecular formula C24H23Cl2N5O2 and a molecular weight of 484.39 g/mol. Its IUPAC name is 5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-6-methoxy-3-[6-[(2S)-2-methylazetidin-1-yl]-3-pyridinyl]-1H-indazole.

Molecular Properties

Compound Name5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-6-methoxy-3-[6-[(2S)-2-methylazetidin-1-yl]-3-pyridinyl]-1H-indazole
PubChem CID174222955
Molecular FormulaC24H23Cl2N5O2
Molecular Weight484.39 g/mol
Exact Mass483.12
IUPAC Name5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-6-methoxy-3-[6-[(2S)-2-methylazetidin-1-yl]-3-pyridinyl]-1H-indazole
SMILESCOc1cc2[nH]nc(-c3ccc(N4CC[C@@H]4C)nc3)c2cc1O[C@H](C)c1c(Cl)cncc1Cl
InChIInChI=1S/C24H23Cl2N5O2/c1-13-6-7-31(13)22-5-4-15(10-28-22)24-16-8-21(20(32-3)9-19(16)29-30-24)33-14(2)23-17(25)11-27-12-18(23)26/h4-5,8-14H,6-7H2,1-3H3,(H,29,30)/t13-,14+/m0/s1
InChIKeyFQMOTNPJZKOJJL-UONOGXRCSA-N
XLogP6.07
TPSA76.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.39
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-6-methoxy-3-[6-[(2S)-2-methylazetidin-1-yl]-3-pyridinyl]-1H-indazole?
The IUPAC name of 5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-6-methoxy-3-[6-[(2S)-2-methylazetidin-1-yl]-3-pyridinyl]-1H-indazole (CID 174222955) is 5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-6-methoxy-3-[6-[(2S)-2-methylazetidin-1-yl]-3-pyridinyl]-1H-indazole.
What is the SMILES notation for 5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-6-methoxy-3-[6-[(2S)-2-methylazetidin-1-yl]-3-pyridinyl]-1H-indazole?
The canonical SMILES for 5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-6-methoxy-3-[6-[(2S)-2-methylazetidin-1-yl]-3-pyridinyl]-1H-indazole is COc1cc2[nH]nc(-c3ccc(N4CC[C@@H]4C)nc3)c2cc1O[C@H](C)c1c(Cl)cncc1Cl.
What is the InChIKey of 5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-6-methoxy-3-[6-[(2S)-2-methylazetidin-1-yl]-3-pyridinyl]-1H-indazole?
The InChIKey is FQMOTNPJZKOJJL-UONOGXRCSA-N. The full InChI is InChI=1S/C24H23Cl2N5O2/c1-13-6-7-31(13)22-5-4-15(10-28-22)24-16-8-21(20(32-3)9-19(16)29-30-24)33-14(2)23-17(25)11-27-12-18(23)26/h4-5,8-14H,6-7H2,1-3H3,(H,29,30)/t13-,14+/m0/s1.
What are the key properties of 5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-6-methoxy-3-[6-[(2S)-2-methylazetidin-1-yl]-3-pyridinyl]-1H-indazole?
5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-6-methoxy-3-[6-[(2S)-2-methylazetidin-1-yl]-3-pyridinyl]-1H-indazole has a molecular weight of 484.39 g/mol, XLogP of 6.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-6-methoxy-3-[6-[(2S)-2-methylazetidin-1-yl]-3-pyridinyl]-1H-indazole is sourced from PubChem (CID 174222955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).