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

C29H27ClN4O2 — CID 175829992

IUPAC3-(3-chloro-2-pyridinyl)-5-cyclopropyl-4-[7-(4-methoxyquinolin-6-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole
SMILESCOc1ccnc2ccc(N3CCC4(C=C(c5c(-c6ncccc6Cl)noc5C5CC5)C4)CC3)cc12
InChIInChI=1S/C29H27ClN4O2/c1-35-24-8-12-31-23-7-6-20(15-21(23)24)34-13-9-29(10-14-34)16-19(17-29)25-27(26-22(30)3-2-11-32-26)33-36-28(25)18-4-5-18/h2-3,6-8,11-12,15-16,18H,4-5,9-10,13-14,17H2,1H3
InChIKeySJJVFCBPIINMBD-UHFFFAOYSA-N
MW499.01 g/mol
LogP6.90
Rot. Bonds5

About 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

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 (PubChem CID 175829992) has the molecular formula C29H27ClN4O2 and a molecular weight of 499.01 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-(3-chloro-2-pyridinyl)-5-cyclopropyl-4-[7-(4-methoxyquinolin-6-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole
PubChem CID175829992
Molecular FormulaC29H27ClN4O2
Molecular Weight499.01 g/mol
Exact Mass498.18
IUPAC Name3-(3-chloro-2-pyridinyl)-5-cyclopropyl-4-[7-(4-methoxyquinolin-6-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole
SMILESCOc1ccnc2ccc(N3CCC4(C=C(c5c(-c6ncccc6Cl)noc5C5CC5)C4)CC3)cc12
InChIInChI=1S/C29H27ClN4O2/c1-35-24-8-12-31-23-7-6-20(15-21(23)24)34-13-9-29(10-14-34)16-19(17-29)25-27(26-22(30)3-2-11-32-26)33-36-28(25)18-4-5-18/h2-3,6-8,11-12,15-16,18H,4-5,9-10,13-14,17H2,1H3
InChIKeySJJVFCBPIINMBD-UHFFFAOYSA-N
XLogP6.90
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.01
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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-(3,5-dichloro-4-pyridinyl)-4-(7-quinolin-6-yl-7-azaspiro[3.5]non-2-en-2-yl)-1,2-oxazole
CID 175830003
6-[2-[5-cyclopropyl-3-[2-(trifluoromethyl)-3-pyridinyl]-1,2-oxazol-4-yl]-7-azaspiro[3.5]non-2-en-7-yl]-4-methoxyquinoline-2-carboxylic acid
CID 138591908
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-(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-(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
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-(4-methylpyrimidin-2-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole
CID 175829979
6-[2-[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]-7-azaspiro[3.5]non-2-en-7-yl]-4-ethoxyquinoline-2-carboxylic acid
CID 142582447
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
3-cyclohexyl-5-cyclopropyl-4-[7-[4-(trifluoromethyl)quinolin-6-yl]-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole
CID 175830115
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccnc2ccc(N3CCC4(C=C(c5c(-c6ncccc6Cl)noc5C5CC5)C4)CC3)cc12.
What is the InChIKey of 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?
The InChIKey is SJJVFCBPIINMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27ClN4O2/c1-35-24-8-12-31-23-7-6-20(15-21(23)24)34-13-9-29(10-14-34)16-19(17-29)25-27(26-22(30)3-2-11-32-26)33-36-28(25)18-4-5-18/h2-3,6-8,11-12,15-16,18H,4-5,9-10,13-14,17H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 499.01 g/mol, XLogP of 6.90, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 175829992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).