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

C27H27Cl2N5O2 — CID 169101642

IUPAC8-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]-1-oxa-8-azaspiro[4.5]decane
SMILESC[C@@H](Oc1ccc2[nH]nc(-c3ccc(N4CCC5(CCCO5)CC4)nc3)c2c1)c1c(Cl)cncc1Cl
InChIInChI=1S/C27H27Cl2N5O2/c1-17(25-21(28)15-30-16-22(25)29)36-19-4-5-23-20(13-19)26(33-32-23)18-3-6-24(31-14-18)34-10-8-27(9-11-34)7-2-12-35-27/h3-6,13-17H,2,7-12H2,1H3,(H,32,33)/t17-/m1/s1
InChIKeyGEPYXUWMGXRWAY-QGZVFWFLSA-N
MW524.45 g/mol
LogP6.62
Rot. Bonds5

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

8-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]-1-oxa-8-azaspiro[4.5]decane (PubChem CID 169101642) has the molecular formula C27H27Cl2N5O2 and a molecular weight of 524.45 g/mol. Its IUPAC name is 8-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]-1-oxa-8-azaspiro[4.5]decane
PubChem CID169101642
Molecular FormulaC27H27Cl2N5O2
Molecular Weight524.45 g/mol
Exact Mass523.15
IUPAC Name8-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]-1-oxa-8-azaspiro[4.5]decane
SMILESC[C@@H](Oc1ccc2[nH]nc(-c3ccc(N4CCC5(CCCO5)CC4)nc3)c2c1)c1c(Cl)cncc1Cl
InChIInChI=1S/C27H27Cl2N5O2/c1-17(25-21(28)15-30-16-22(25)29)36-19-4-5-23-20(13-19)26(33-32-23)18-3-6-24(31-14-18)34-10-8-27(9-11-34)7-2-12-35-27/h3-6,13-17H,2,7-12H2,1H3,(H,32,33)/t17-/m1/s1
InChIKeyGEPYXUWMGXRWAY-QGZVFWFLSA-N
XLogP6.62
TPSA76.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.45
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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]-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]-1-oxa-8-azaspiro[4.5]decane (CID 169101642) is 8-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]-1-oxa-8-azaspiro[4.5]decane is C[C@@H](Oc1ccc2[nH]nc(-c3ccc(N4CCC5(CCCO5)CC4)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]-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is GEPYXUWMGXRWAY-QGZVFWFLSA-N. The full InChI is InChI=1S/C27H27Cl2N5O2/c1-17(25-21(28)15-30-16-22(25)29)36-19-4-5-23-20(13-19)26(33-32-23)18-3-6-24(31-14-18)34-10-8-27(9-11-34)7-2-12-35-27/h3-6,13-17H,2,7-12H2,1H3,(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]-1-oxa-8-azaspiro[4.5]decane?
8-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 524.45 g/mol, XLogP of 6.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 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]-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 169101642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).