4-(7-cinnolin-7-yl-7-azaspiro[3.5]non-2-en-2-yl)-5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazole

C27H23Cl2N5O — CID 175830066

IUPAC4-(7-cinnolin-7-yl-7-azaspiro[3.5]non-2-en-2-yl)-5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazole
SMILESClc1cncc(Cl)c1-c1noc(C2CC2)c1C1=CC2(CCN(c3ccc4ccnnc4c3)CC2)C1
InChIInChI=1S/C27H23Cl2N5O/c28-20-14-30-15-21(29)24(20)25-23(26(35-33-25)17-1-2-17)18-12-27(13-18)6-9-34(10-7-27)19-4-3-16-5-8-31-32-22(16)11-19/h3-5,8,11-12,14-15,17H,1-2,6-7,9-10,13H2
InChIKeyYBNNMLMDNLMZGK-UHFFFAOYSA-N
MW504.42 g/mol
LogP6.94
Rot. Bonds4

About 4-(7-cinnolin-7-yl-7-azaspiro[3.5]non-2-en-2-yl)-5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazole

4-(7-cinnolin-7-yl-7-azaspiro[3.5]non-2-en-2-yl)-5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazole (PubChem CID 175830066) has the molecular formula C27H23Cl2N5O and a molecular weight of 504.42 g/mol. Its IUPAC name is 4-(7-cinnolin-7-yl-7-azaspiro[3.5]non-2-en-2-yl)-5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazole.

Molecular Properties

Compound Name4-(7-cinnolin-7-yl-7-azaspiro[3.5]non-2-en-2-yl)-5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazole
PubChem CID175830066
Molecular FormulaC27H23Cl2N5O
Molecular Weight504.42 g/mol
Exact Mass503.13
IUPAC Name4-(7-cinnolin-7-yl-7-azaspiro[3.5]non-2-en-2-yl)-5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazole
SMILESClc1cncc(Cl)c1-c1noc(C2CC2)c1C1=CC2(CCN(c3ccc4ccnnc4c3)CC2)C1
InChIInChI=1S/C27H23Cl2N5O/c28-20-14-30-15-21(29)24(20)25-23(26(35-33-25)17-1-2-17)18-12-27(13-18)6-9-34(10-7-27)19-4-3-16-5-8-31-32-22(16)11-19/h3-5,8,11-12,14-15,17H,1-2,6-7,9-10,13H2
InChIKeyYBNNMLMDNLMZGK-UHFFFAOYSA-N
XLogP6.94
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.42
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(7-cinnolin-7-yl-7-azaspiro[3.5]non-2-en-2-yl)-5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazole with MolForge

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Related Compounds

5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-4-(7-quinolin-6-yl-7-azaspiro[3.5]non-2-en-2-yl)-1,2-oxazole
CID 175830003
5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-4-[7-(2,4-dimethylquinolin-6-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole
CID 142582553
5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-4-[7-(4-propan-2-yloxyquinolin-6-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole
CID 175830128
5-cyclopropyl-3-(2,6-dichlorophenyl)-4-[7-(3-methylisoquinolin-7-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole;ethane
CID 142582484
5-cyclopropyl-3-(2,6-dichlorophenyl)-4-(7-pyrimidin-5-yl-7-azaspiro[3.5]non-2-en-2-yl)-1,2-oxazole
CID 175830041
5-cyclopropyl-3-(2,6-dichlorophenyl)-4-(7-pyrimidin-2-yl-7-azaspiro[3.5]non-2-en-2-yl)-1,2-oxazole
CID 175830182
5-cyclopropyl-3-(2,6-dimethylphenyl)-4-[7-(2-methylquinolin-6-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole;ethane
CID 142582438
5-cyclopropyl-3-(4-fluoro-2,6-dimethylphenyl)-4-[7-(2-methylquinolin-6-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole
CID 167172454
5-cyclopropyl-3-(2,6-dichlorophenyl)-4-[7-(4-methylpyrimidin-2-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole
CID 175829979
5-cyclopropyl-3-(2,6-dichlorophenyl)-4-[7-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole
CID 175830029
5-cyclopropyl-3-(2,6-dichloro-4-fluorophenyl)-4-[7-(2-methyl-4-propan-2-yloxyquinolin-6-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole
CID 157214847
3-(3-chloro-2-pyridinyl)-5-cyclopropyl-4-[7-(4-methoxyquinolin-6-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole
CID 175829992

Frequently Asked Questions

What is the IUPAC name of 4-(7-cinnolin-7-yl-7-azaspiro[3.5]non-2-en-2-yl)-5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazole?
The IUPAC name of 4-(7-cinnolin-7-yl-7-azaspiro[3.5]non-2-en-2-yl)-5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazole (CID 175830066) is 4-(7-cinnolin-7-yl-7-azaspiro[3.5]non-2-en-2-yl)-5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazole.
What is the SMILES notation for 4-(7-cinnolin-7-yl-7-azaspiro[3.5]non-2-en-2-yl)-5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazole?
The canonical SMILES for 4-(7-cinnolin-7-yl-7-azaspiro[3.5]non-2-en-2-yl)-5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazole is Clc1cncc(Cl)c1-c1noc(C2CC2)c1C1=CC2(CCN(c3ccc4ccnnc4c3)CC2)C1.
What is the InChIKey of 4-(7-cinnolin-7-yl-7-azaspiro[3.5]non-2-en-2-yl)-5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazole?
The InChIKey is YBNNMLMDNLMZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23Cl2N5O/c28-20-14-30-15-21(29)24(20)25-23(26(35-33-25)17-1-2-17)18-12-27(13-18)6-9-34(10-7-27)19-4-3-16-5-8-31-32-22(16)11-19/h3-5,8,11-12,14-15,17H,1-2,6-7,9-10,13H2.
What are the key properties of 4-(7-cinnolin-7-yl-7-azaspiro[3.5]non-2-en-2-yl)-5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazole?
4-(7-cinnolin-7-yl-7-azaspiro[3.5]non-2-en-2-yl)-5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazole has a molecular weight of 504.42 g/mol, XLogP of 6.94, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-cinnolin-7-yl-7-azaspiro[3.5]non-2-en-2-yl)-5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazole is sourced from PubChem (CID 175830066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).