8-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]-2λ6-thia-8-azaspiro[4.5]decane 2,2-dioxide

C27H27Cl2N5O3S — CID 170693119

IUPAC8-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]-2λ6-thia-8-azaspiro[4.5]decane 2,2-dioxide
SMILESC[C@@H](Oc1ccc2[nH]nc(-c3ccc(N4CCC5(CC4)CCS(=O)(=O)C5)nc3)c2c1)c1c(Cl)cncc1Cl
InChIInChI=1S/C27H27Cl2N5O3S/c1-17(25-21(28)14-30-15-22(25)29)37-19-3-4-23-20(12-19)26(33-32-23)18-2-5-24(31-13-18)34-9-6-27(7-10-34)8-11-38(35,36)16-27/h2-5,12-15,17H,6-11,16H2,1H3,(H,32,33)/t17-/m1/s1
InChIKeyXXXBJCIVUMTBMX-QGZVFWFLSA-N
MW572.52 g/mol
LogP5.87
Rot. Bonds5

About 8-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]-2λ6-thia-8-azaspiro[4.5]decane 2,2-dioxide

8-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]-2λ6-thia-8-azaspiro[4.5]decane 2,2-dioxide (PubChem CID 170693119) has the molecular formula C27H27Cl2N5O3S and a molecular weight of 572.52 g/mol. Its IUPAC name is 8-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]-2λ6-thia-8-azaspiro[4.5]decane 2,2-dioxide.

Molecular Properties

Compound Name8-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]-2λ6-thia-8-azaspiro[4.5]decane 2,2-dioxide
PubChem CID170693119
Molecular FormulaC27H27Cl2N5O3S
Molecular Weight572.52 g/mol
Exact Mass571.12
IUPAC Name8-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]-2λ6-thia-8-azaspiro[4.5]decane 2,2-dioxide
SMILESC[C@@H](Oc1ccc2[nH]nc(-c3ccc(N4CCC5(CC4)CCS(=O)(=O)C5)nc3)c2c1)c1c(Cl)cncc1Cl
InChIInChI=1S/C27H27Cl2N5O3S/c1-17(25-21(28)14-30-15-22(25)29)37-19-3-4-23-20(12-19)26(33-32-23)18-2-5-24(31-13-18)34-9-6-27(7-10-34)8-11-38(35,36)16-27/h2-5,12-15,17H,6-11,16H2,1H3,(H,32,33)/t17-/m1/s1
InChIKeyXXXBJCIVUMTBMX-QGZVFWFLSA-N
XLogP5.87
TPSA101.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.52
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 8-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]-2λ6-thia-8-azaspiro[4.5]decane 2,2-dioxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]-2λ6-thia-8-azaspiro[4.5]decane 2,2-dioxide?
The IUPAC name of 8-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]-2λ6-thia-8-azaspiro[4.5]decane 2,2-dioxide (CID 170693119) is 8-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]-2λ6-thia-8-azaspiro[4.5]decane 2,2-dioxide.
What is the SMILES notation for 8-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]-2λ6-thia-8-azaspiro[4.5]decane 2,2-dioxide?
The canonical SMILES for 8-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]-2λ6-thia-8-azaspiro[4.5]decane 2,2-dioxide is C[C@@H](Oc1ccc2[nH]nc(-c3ccc(N4CCC5(CC4)CCS(=O)(=O)C5)nc3)c2c1)c1c(Cl)cncc1Cl.
What is the InChIKey of 8-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]-2λ6-thia-8-azaspiro[4.5]decane 2,2-dioxide?
The InChIKey is XXXBJCIVUMTBMX-QGZVFWFLSA-N. The full InChI is InChI=1S/C27H27Cl2N5O3S/c1-17(25-21(28)14-30-15-22(25)29)37-19-3-4-23-20(12-19)26(33-32-23)18-2-5-24(31-13-18)34-9-6-27(7-10-34)8-11-38(35,36)16-27/h2-5,12-15,17H,6-11,16H2,1H3,(H,32,33)/t17-/m1/s1.
What are the key properties of 8-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]-2λ6-thia-8-azaspiro[4.5]decane 2,2-dioxide?
8-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]-2λ6-thia-8-azaspiro[4.5]decane 2,2-dioxide has a molecular weight of 572.52 g/mol, XLogP of 5.87, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]-2λ6-thia-8-azaspiro[4.5]decane 2,2-dioxide is sourced from PubChem (CID 170693119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).