8-[5-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]-1,8-diazaspiro[4.5]decan-2-one

C27H26Cl2N6O2 — CID 174223254

IUPAC8-[5-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]-1,8-diazaspiro[4.5]decan-2-one
SMILESCC(Oc1ccc2[nH]nc(-c3ccc(N4CCC5(CCC(=O)N5)CC4)nc3)c2c1)c1c(Cl)cncc1Cl
InChIInChI=1S/C27H26Cl2N6O2/c1-16(25-20(28)14-30-15-21(25)29)37-18-3-4-22-19(12-18)26(34-33-22)17-2-5-23(31-13-17)35-10-8-27(9-11-35)7-6-24(36)32-27/h2-5,12-16H,6-11H2,1H3,(H,32,36)(H,33,34)
InChIKeyOZUIKHFYCVOSFG-UHFFFAOYSA-N
MW537.45 g/mol
LogP5.72
Rot. Bonds5

About 8-[5-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]-1,8-diazaspiro[4.5]decan-2-one

8-[5-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 174223254) has the molecular formula C27H26Cl2N6O2 and a molecular weight of 537.45 g/mol. Its IUPAC name is 8-[5-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[5-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]-1,8-diazaspiro[4.5]decan-2-one
PubChem CID174223254
Molecular FormulaC27H26Cl2N6O2
Molecular Weight537.45 g/mol
Exact Mass536.15
IUPAC Name8-[5-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]-1,8-diazaspiro[4.5]decan-2-one
SMILESCC(Oc1ccc2[nH]nc(-c3ccc(N4CCC5(CCC(=O)N5)CC4)nc3)c2c1)c1c(Cl)cncc1Cl
InChIInChI=1S/C27H26Cl2N6O2/c1-16(25-20(28)14-30-15-21(25)29)37-18-3-4-22-19(12-18)26(34-33-22)17-2-5-23(31-13-17)35-10-8-27(9-11-35)7-6-24(36)32-27/h2-5,12-16H,6-11H2,1H3,(H,32,36)(H,33,34)
InChIKeyOZUIKHFYCVOSFG-UHFFFAOYSA-N
XLogP5.72
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.45
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[5-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[5-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]-1,8-diazaspiro[4.5]decan-2-one (CID 174223254) is 8-[5-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[5-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[5-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]-1,8-diazaspiro[4.5]decan-2-one is CC(Oc1ccc2[nH]nc(-c3ccc(N4CCC5(CCC(=O)N5)CC4)nc3)c2c1)c1c(Cl)cncc1Cl.
What is the InChIKey of 8-[5-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is OZUIKHFYCVOSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26Cl2N6O2/c1-16(25-20(28)14-30-15-21(25)29)37-18-3-4-22-19(12-18)26(34-33-22)17-2-5-23(31-13-17)35-10-8-27(9-11-35)7-6-24(36)32-27/h2-5,12-16H,6-11H2,1H3,(H,32,36)(H,33,34).
What are the key properties of 8-[5-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]-1,8-diazaspiro[4.5]decan-2-one?
8-[5-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 537.45 g/mol, XLogP of 5.72, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 174223254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).