2-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]-7λ6-thia-2-azaspiro[3.5]nonane 7,7-dioxide

C26H25Cl2N5O3S — CID 171408740

IUPAC2-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]-7λ6-thia-2-azaspiro[3.5]nonane 7,7-dioxide
SMILESC[C@@H](Oc1ccc2[nH]nc(-c3ccc(N4CC5(CCS(=O)(=O)CC5)C4)nc3)c2c1)c1c(Cl)cncc1Cl
InChIInChI=1S/C26H25Cl2N5O3S/c1-16(24-20(27)12-29-13-21(24)28)36-18-3-4-22-19(10-18)25(32-31-22)17-2-5-23(30-11-17)33-14-26(15-33)6-8-37(34,35)9-7-26/h2-5,10-13,16H,6-9,14-15H2,1H3,(H,31,32)/t16-/m1/s1
InChIKeyMZCGOPOACMFXIS-MRXNPFEDSA-N
MW558.49 g/mol
LogP5.48
Rot. Bonds5

About 2-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]-7λ6-thia-2-azaspiro[3.5]nonane 7,7-dioxide

2-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]-7λ6-thia-2-azaspiro[3.5]nonane 7,7-dioxide (PubChem CID 171408740) has the molecular formula C26H25Cl2N5O3S and a molecular weight of 558.49 g/mol. Its IUPAC name is 2-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]-7λ6-thia-2-azaspiro[3.5]nonane 7,7-dioxide.

Molecular Properties

Compound Name2-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]-7λ6-thia-2-azaspiro[3.5]nonane 7,7-dioxide
PubChem CID171408740
Molecular FormulaC26H25Cl2N5O3S
Molecular Weight558.49 g/mol
Exact Mass557.11
IUPAC Name2-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]-7λ6-thia-2-azaspiro[3.5]nonane 7,7-dioxide
SMILESC[C@@H](Oc1ccc2[nH]nc(-c3ccc(N4CC5(CCS(=O)(=O)CC5)C4)nc3)c2c1)c1c(Cl)cncc1Cl
InChIInChI=1S/C26H25Cl2N5O3S/c1-16(24-20(27)12-29-13-21(24)28)36-18-3-4-22-19(10-18)25(32-31-22)17-2-5-23(30-11-17)33-14-26(15-33)6-8-37(34,35)9-7-26/h2-5,10-13,16H,6-9,14-15H2,1H3,(H,31,32)/t16-/m1/s1
InChIKeyMZCGOPOACMFXIS-MRXNPFEDSA-N
XLogP5.48
TPSA101.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.49
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]-7λ6-thia-2-azaspiro[3.5]nonane 7,7-dioxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]-7λ6-thia-2-azaspiro[3.5]nonane 7,7-dioxide?
The IUPAC name of 2-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]-7λ6-thia-2-azaspiro[3.5]nonane 7,7-dioxide (CID 171408740) is 2-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]-7λ6-thia-2-azaspiro[3.5]nonane 7,7-dioxide.
What is the SMILES notation for 2-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]-7λ6-thia-2-azaspiro[3.5]nonane 7,7-dioxide?
The canonical SMILES for 2-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]-7λ6-thia-2-azaspiro[3.5]nonane 7,7-dioxide is C[C@@H](Oc1ccc2[nH]nc(-c3ccc(N4CC5(CCS(=O)(=O)CC5)C4)nc3)c2c1)c1c(Cl)cncc1Cl.
What is the InChIKey of 2-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]-7λ6-thia-2-azaspiro[3.5]nonane 7,7-dioxide?
The InChIKey is MZCGOPOACMFXIS-MRXNPFEDSA-N. The full InChI is InChI=1S/C26H25Cl2N5O3S/c1-16(24-20(27)12-29-13-21(24)28)36-18-3-4-22-19(10-18)25(32-31-22)17-2-5-23(30-11-17)33-14-26(15-33)6-8-37(34,35)9-7-26/h2-5,10-13,16H,6-9,14-15H2,1H3,(H,31,32)/t16-/m1/s1.
What are the key properties of 2-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]-7λ6-thia-2-azaspiro[3.5]nonane 7,7-dioxide?
2-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]-7λ6-thia-2-azaspiro[3.5]nonane 7,7-dioxide has a molecular weight of 558.49 g/mol, XLogP of 5.48, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]-7λ6-thia-2-azaspiro[3.5]nonane 7,7-dioxide is sourced from PubChem (CID 171408740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).