5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-6-methyl-3-[6-(2-methylsulfonyl-2,6-diazaspiro[3.3]heptan-6-yl)-3-pyridinyl]-1H-indazole

C26H26Cl2N6O3S — CID 174222871

IUPAC5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-6-methyl-3-[6-(2-methylsulfonyl-2,6-diazaspiro[3.3]heptan-6-yl)-3-pyridinyl]-1H-indazole
SMILESCc1cc2[nH]nc(-c3ccc(N4CC5(C4)CN(S(C)(=O)=O)C5)nc3)c2cc1OC(C)c1c(Cl)cncc1Cl
InChIInChI=1S/C26H26Cl2N6O3S/c1-15-6-21-18(7-22(15)37-16(2)24-19(27)9-29-10-20(24)28)25(32-31-21)17-4-5-23(30-8-17)33-11-26(12-33)13-34(14-26)38(3,35)36/h4-10,16H,11-14H2,1-3H3,(H,31,32)
InChIKeyUJWONMPOCQCPEE-UHFFFAOYSA-N
MW573.51 g/mol
LogP4.86
Rot. Bonds6

About 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-6-methyl-3-[6-(2-methylsulfonyl-2,6-diazaspiro[3.3]heptan-6-yl)-3-pyridinyl]-1H-indazole

5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-6-methyl-3-[6-(2-methylsulfonyl-2,6-diazaspiro[3.3]heptan-6-yl)-3-pyridinyl]-1H-indazole (PubChem CID 174222871) has the molecular formula C26H26Cl2N6O3S and a molecular weight of 573.51 g/mol. Its IUPAC name is 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-6-methyl-3-[6-(2-methylsulfonyl-2,6-diazaspiro[3.3]heptan-6-yl)-3-pyridinyl]-1H-indazole.

Molecular Properties

Compound Name5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-6-methyl-3-[6-(2-methylsulfonyl-2,6-diazaspiro[3.3]heptan-6-yl)-3-pyridinyl]-1H-indazole
PubChem CID174222871
Molecular FormulaC26H26Cl2N6O3S
Molecular Weight573.51 g/mol
Exact Mass572.12
IUPAC Name5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-6-methyl-3-[6-(2-methylsulfonyl-2,6-diazaspiro[3.3]heptan-6-yl)-3-pyridinyl]-1H-indazole
SMILESCc1cc2[nH]nc(-c3ccc(N4CC5(C4)CN(S(C)(=O)=O)C5)nc3)c2cc1OC(C)c1c(Cl)cncc1Cl
InChIInChI=1S/C26H26Cl2N6O3S/c1-15-6-21-18(7-22(15)37-16(2)24-19(27)9-29-10-20(24)28)25(32-31-21)17-4-5-23(30-8-17)33-11-26(12-33)13-34(14-26)38(3,35)36/h4-10,16H,11-14H2,1-3H3,(H,31,32)
InChIKeyUJWONMPOCQCPEE-UHFFFAOYSA-N
XLogP4.86
TPSA104.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500573.51
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-6-methyl-3-[6-(2-methylsulfonyl-2,6-diazaspiro[3.3]heptan-6-yl)-3-pyridinyl]-1H-indazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-6-methyl-3-[6-(2-methylsulfonyl-2,6-diazaspiro[3.3]heptan-6-yl)-3-pyridinyl]-1H-indazole?
The IUPAC name of 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-6-methyl-3-[6-(2-methylsulfonyl-2,6-diazaspiro[3.3]heptan-6-yl)-3-pyridinyl]-1H-indazole (CID 174222871) is 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-6-methyl-3-[6-(2-methylsulfonyl-2,6-diazaspiro[3.3]heptan-6-yl)-3-pyridinyl]-1H-indazole.
What is the SMILES notation for 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-6-methyl-3-[6-(2-methylsulfonyl-2,6-diazaspiro[3.3]heptan-6-yl)-3-pyridinyl]-1H-indazole?
The canonical SMILES for 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-6-methyl-3-[6-(2-methylsulfonyl-2,6-diazaspiro[3.3]heptan-6-yl)-3-pyridinyl]-1H-indazole is Cc1cc2[nH]nc(-c3ccc(N4CC5(C4)CN(S(C)(=O)=O)C5)nc3)c2cc1OC(C)c1c(Cl)cncc1Cl.
What is the InChIKey of 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-6-methyl-3-[6-(2-methylsulfonyl-2,6-diazaspiro[3.3]heptan-6-yl)-3-pyridinyl]-1H-indazole?
The InChIKey is UJWONMPOCQCPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26Cl2N6O3S/c1-15-6-21-18(7-22(15)37-16(2)24-19(27)9-29-10-20(24)28)25(32-31-21)17-4-5-23(30-8-17)33-11-26(12-33)13-34(14-26)38(3,35)36/h4-10,16H,11-14H2,1-3H3,(H,31,32).
What are the key properties of 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-6-methyl-3-[6-(2-methylsulfonyl-2,6-diazaspiro[3.3]heptan-6-yl)-3-pyridinyl]-1H-indazole?
5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-6-methyl-3-[6-(2-methylsulfonyl-2,6-diazaspiro[3.3]heptan-6-yl)-3-pyridinyl]-1H-indazole has a molecular weight of 573.51 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-6-methyl-3-[6-(2-methylsulfonyl-2,6-diazaspiro[3.3]heptan-6-yl)-3-pyridinyl]-1H-indazole is sourced from PubChem (CID 174222871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).